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CAS 15870-10-7 2-Methyl-1-heptene molecular structure lightbox
CAS RN: 15870-10-7

2-Methyl-1-heptene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 1ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTM0534
  • Purity/Analytical Methods: >98.0%(GC)
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15870-10-7 / 2-methylhept-1-ene

Standard CAS: 15870-10-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15870-10-7
Multi CAS
No
Molecular Formula
C8H16
Molecular Weight
112.210000
Exact Mass
112.125201
SMILES
CCCCCC(=C)C
InChI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3
InChIKey
RCBGGJURENJHKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
4
Molar refractivity
38.96
TPSA
0.0000

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
4.1
Consensus LogP
3.33
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.48
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

Safety & Transport

Pictogram(s)
Flammable Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501

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