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CAS 15869-93-9 3,5-Dimethyloctane molecular structure lightbox
CAS RN: 15869-93-9

3,5-Dimethyloctane

  • Product code: SSC-066941
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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: 1ml
  • Available purity: ≥98%
  • 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 15869-93-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1ml ≥98% 0 Out of Stock Hong Kong Inquiry

15869-93-9 / 3,5-dimethyloctane

Standard CAS: 15869-93-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15869-93-9
Multi CAS
No
Molecular Formula
C10H22
Molecular Weight
142.280000
Exact Mass
142.172151
SMILES
CCCC(C)CC(C)CC
InChI
InChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
InChIKey
VRHRGVJOUHJULC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid with an acird pungent odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
5
Molar refractivity
48.14
TPSA
0.0000

LogP / Solubility

WLOGP
3.86
MLOGP
3.39
XLogP3
5.1
Consensus LogP
4.12
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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