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CAS 68037-01-4 HYDROGENATED POLYDECENE molecular structure lightbox
CAS RN: 68037-01-4

HYDROGENATED POLYDECENE

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68037-01-4 / dec-1-ene

Standard CAS: 68037-01-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68037-01-4
Multi CAS
No
Molecular Formula
C10H20
Molecular Weight
140.270000
Exact Mass
140.156501
InChI
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3
InChIKey
AFFLGGQVNFXPEV-UHFFFAOYSA-N

Physical Properties

Melting Point
-87.3 °F (USCG, 1999) -66.3 °C -66 °C
Boiling Point
339.1 °F at 760 mmHg (USCG, 1999) 170.56 °C @ 760 mm Hg 172 °C
Density
0.741 at 68 °F (USCG, 1999) - Less dense than water; will float 0.7408 @ 20 °C/4 °C Relative density (water = 1): 0.74
Physical Description
1-decene is a colorless watery liquid with a pleasant odor. Floats on water. (USCG, 1999) Liquid Colorless liquid with a pleasant odor; [HSDB] COLOURLESS LIQUID.
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
7
Molar refractivity
48.19
TPSA
0.0000

LogP / Solubility

WLOGP
3.92
MLOGP
3.45
XLogP3
5.7
Consensus LogP
4.36
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.67
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)
-0.79

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
1.5

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