[email protected]
CAS 6153-05-5 (Z)-3-Methylpent-2-en-4-yn-1-ol molecular structure lightbox
CAS RN: 6153-05-5

(Z)-3-Methylpent-2-en-4-yn-1-ol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251120 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS6153-05-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

6153-05-5 / 3-methylpent-2-en-4-yn-1-ol

Standard CAS: 6153-05-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6153-05-5
Multi CAS
Yes
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
InChI
InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4-
InChIKey
ZSJHASYJQIRSLE-XQRVVYSFSA-N

Physical Properties

Physical Description
Yellow to orange liquid with a turpene-like odor; [GSBL]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.68
TPSA
20.23

LogP / Solubility

WLOGP
0.56
MLOGP
0.48
XLogP3
0.9
Consensus LogP
0.65
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-2.91

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

Customers Also Viewed

Get In Touch

Contact Us