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CAS 14434-41-4 2-methyl-6-methyleneocta-2,7-dien-4-ol molecular structure lightbox
CAS RN: 14434-41-4

2-methyl-6-methyleneocta-2,7-dien-4-ol

  • Product code: SSC-055558
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14434-41-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

14434-41-4 / 2-methyl-6-methylideneocta-2,7-dien-4-ol

Standard CAS: 14434-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14434-41-4
Multi CAS
No
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
SMILES
CC(=CC(CC(=C)C=C)O)C
InChI
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3
InChIKey
NHMKYUHMPXBMFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.39
TPSA
20.23

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
3.2
Consensus LogP
2.6
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-1.91

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
2

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