CAS RN: 918-85-4
3-METHYL-1-PENTEN-3-OL
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: starshine_CAS918-85-4
- Purity/Analytical Methods: >99.0%
918-85-4 / 3-methylpent-1-en-3-ol
Basic Information
CAS
918-85-4
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
InChI
InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3
InChIKey
HFYAEUXHCMTPOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.11
TPSA
20.23
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-2.38
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
Customers Also Viewed
-
LITHIUM CITRATE
- CAS RN: 919-16-4
- Product Code: starshine_CAS919-16-4
- Purity/Analytical method: >99.0%
-
ACETYLPHOSPHONIC ACID DIETHYL ESTER
- CAS RN: 919-19-7
- Product Code: starshine_CAS919-19-7
- Purity/Analytical method: >99.0%
-
DEMETON-S-METHYL
- CAS RN: 919-86-8
- Product Code: starshine_CAS919-86-8
- Purity/Analytical method: >99.0%
-
-
D-LACTIC ACID SODIUM SALT
- CAS RN: 920-49-0
- Product Code: starshine_CAS920-49-0
- Purity/Analytical method: >99.0%
-
