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CAS 3769-23-1 4-Methyl-1-hexene molecular structure lightbox
CAS RN: 3769-23-1

4-Methyl-1-hexene

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 1ml In stock Shanghai Inquiry
  • Product code: ICTM0302
  • Purity/Analytical Methods: >99.0%(GC)
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3769-23-1 / 4-methylhex-1-ene

Standard CAS: 3769-23-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3769-23-1
Multi CAS
No
Molecular Formula
C7H14
Molecular Weight
98.190000
Exact Mass
98.109550
InChI
InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3
InChIKey
SUWJESCICIOQHO-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.71
Rotatable bonds
3
Molar refractivity
34.27
TPSA
0.0000

LogP / Solubility

WLOGP
2.61
MLOGP
2.28
XLogP3
3.2
Consensus LogP
2.7
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-1.47

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

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