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CAS 68274-97-5 5-Decyn-1-ol molecular structure lightbox
CAS RN: 68274-97-5

5-Decyn-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 5g Out of stock 8-10 business days Inquiry
  • Product code: LIND920875
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68274-97-5 / dec-5-yn-1-ol

Standard CAS: 68274-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68274-97-5
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3
InChIKey
RNTNGQCWAKHVKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.24
TPSA
20.23

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.9
Consensus LogP
2.43
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2

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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