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CAS 115118-68-8 Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate molecular structure lightbox
CAS RN: 115118-68-8

Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251201 100g In stock Inquiry
Batchno.20250823 25g In stock Inquiry
Batchno.20260620 500g In stock Inquiry
Batchno.20250511 5g In stock Inquiry
  • Product code: SSC-014833
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115118-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

115118-68-8 / dipropan-2-yl 3,3-dimethoxycyclobutane-1,1-dicarboxylate

1,1-bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate | RefChem:409719 | 963-225-1

Standard CAS: 115118-68-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115118-68-8
Multi CAS
No
Molecular Formula
C14H24O6
Molecular Weight
288.340000
Exact Mass
288.157288
SMILES
CC(C)OC(=O)C1(CC(C1)(OC)OC)C(=O)OC(C)C
InChI
InChI=1S/C14H24O6/c1-9(2)19-11(15)13(12(16)20-10(3)4)7-14(8-13,17-5)18-6/h9-10H,7-8H2,1-6H3
InChIKey
SZJMXTBKYMLPTJ-UHFFFAOYSA-N
Synonyms
1,1-bis(propan-2-yl) 3,3-dimethoxycyclobutane-1,1-dicarboxylate RefChem:409719 963-225-1 Diisopropyl 3,3-dimethoxycyclobutane-1,1-dicarboxylate MFCD06742779

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
70.87
TPSA
71.06

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.64
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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