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CAS 19620-35-0 8-Isopropylidene-1,4-dioxa-spiro[4.5]decane molecular structure lightbox
CAS RN: 19620-35-0

8-Isopropylidene-1,4-dioxa-spiro[4.5]decane

  • Product code: SSC-092696
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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: 1g
  • 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 19620-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

19620-35-0 / 8-propan-2-ylidene-1,4-dioxaspiro[4.5]decane

Standard CAS: 19620-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19620-35-0
Multi CAS
No
Molecular Formula
C11H18O2
Molecular Weight
182.260000
Exact Mass
182.130680
SMILES
CC(=C1CCC2(CC1)OCCO2)C
InChI
InChI=1S/C11H18O2/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-11/h3-8H2,1-2H3
InChIKey
FIHGNWOHULHDCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.82
H-bond acceptors
2
Molar refractivity
51.48
TPSA
18.46

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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