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CAS 7300-03-0 3-Methyl-3-heptene (cis- and trans- mixture) molecular structure lightbox
CAS RN: 7300-03-0

3-Methyl-3-heptene (cis- and trans- mixture)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 1ml In stock Shanghai Inquiry
  • Product code: ICTM0991
  • Purity/Analytical Methods: >97.0%(GC)
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7300-03-0 / 3-methylhept-3-ene

Standard CAS: 7300-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7300-03-0
Multi CAS
Yes
Molecular Formula
C8H16
Molecular Weight
112.210000
Exact Mass
112.125201
InChI
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3
InChIKey
AAUHUDBDDBJONC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
Molar refractivity
38.96
TPSA
0.0000

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
3.7
Consensus LogP
3.2
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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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