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CAS 69064-37-5 trans-2-Dodecenol molecular structure lightbox
CAS RN: 69064-37-5

trans-2-Dodecenol

  • Product code: SSC-178706
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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 69064-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

69064-37-5 / dodec-2-en-1-ol

Standard CAS: 69064-37-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69064-37-5
Multi CAS
Yes
Molecular Formula
C12H24O
Molecular Weight
184.320000
Exact Mass
184.182715
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3
InChIKey
MLRYPOCSLBIUHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.83
Rotatable bonds
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.84
TPSA
20.23

LogP / Solubility

WLOGP
3.68
MLOGP
3.23
XLogP3
4.6
Consensus LogP
3.84
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly 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)
-1.23

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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