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CAS 6975-98-0 2-METHYLDECANE molecular structure lightbox
CAS RN: 6975-98-0

2-METHYLDECANE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS6975-98-0
  • Purity/Analytical Methods: >99.0%
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6975-98-0 / 2-methyldecane

Standard CAS: 6975-98-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6975-98-0
Multi CAS
No
Molecular Formula
C11H24
Molecular Weight
156.310000
Exact Mass
156.187801
InChI
InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3
InChIKey
CNPVJWYWYZMPDS-UHFFFAOYSA-N

Physical Properties

Melting Point
-48.9 °C
Boiling Point
189.30 °C. @ 760.00 mm Hg
Physical Description
Colorless liquid with a pungent acrid odor; Clear colorless liquid; Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
52.83
TPSA
0.0000

LogP / Solubility

WLOGP
4.39
MLOGP
3.86
XLogP3
5.9
Consensus LogP
4.72
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55

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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