CAS RN: 7642-15-1
cis-4-Octene
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
- Product code: ICTO0135
- Purity/Analytical Methods: >95.0%(GC)
7642-15-1 / oct-4-ene
Basic Information
CAS
7642-15-1
Multi CAS
Yes
Molecular Formula
C8H16
Molecular Weight
112.210000
Exact Mass
112.125201
InChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3
InChIKey
IRUCBBFNLDIMIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
4
Molar refractivity
38.96
TPSA
0.0000
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.6
Consensus LogP
3.17
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
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)
-1.17
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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![CAS 3048-64-4 5-Vinylbicyclo[2.2.1]hept-2-ene (stabilized with BHT) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/v0062-jpgcontextbwfzdgvyfhjvb3r8mzaynzr8aw1hz2uvanblz3xonjyvadizlzg5mzi4mdm0mte5otgvvjawnjiuanbnfduxzju1ywi1ngfinmyyyzhlmdc1zjgznjzlmge0ztfjzwmzzte5zjewm2jiyzdhzjm1otziogm3nwu0zdq2mdm.jpeg)
