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CAS 3420-42-6 4-Penten-1-ol, 2,2-diMethyl- molecular structure lightbox
CAS RN: 3420-42-6

4-Penten-1-ol, 2,2-diMethyl-

  • Product code: SSC-140441
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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 3420-42-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3420-42-6 / 2,2-dimethylpent-4-en-1-ol

Standard CAS: 3420-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3420-42-6
Multi CAS
No
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
InChI
InChI=1S/C7H14O/c1-4-5-7(2,3)6-8/h4,8H,1,5-6H2,2-3H3
InChIKey
XFZHDXOKFDBPRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.68
TPSA
20.23

LogP / Solubility

WLOGP
1.58
MLOGP
1.38
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.29

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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