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CAS 71195-14-7 TRANS-2-METHYL-3-PENTEN-2-OL molecular structure lightbox
CAS RN: 71195-14-7

TRANS-2-METHYL-3-PENTEN-2-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260412 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71195-14-7
  • Purity/Analytical Methods: >99.0%
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71195-14-7 / 2-methylpent-3-en-2-ol

Standard CAS: 71195-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71195-14-7
Multi CAS
Yes
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
InChI
InChI=1S/C6H12O/c1-4-5-6(2,3)7/h4-5,7H,1-3H3/b5-4+
InChIKey
OWVUFBAJXKEVBE-SNAWJCMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
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
Consensus LogP
1.16
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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
1.5

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