General
Preferred name
hexan-1-ol
Synonyms
1-HEXANOL ()
Hexyl alcohol ()
Hexalcohol ()
Caproalcohol ()
Capric alcohol ()
Hydroxyhexane ()
P&D ID
PD158361
CAS
71076-86-3
111-27-3
25917-35-5
68603-15-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION 1-Hexanol (hexan-1-ol) is a natural product.1-Hexanol, a primary alcohol, is a surfactant that can be employed in industrial processes to enhance interfacial properties[1]. 1-Hexanol uncouples mitochondrial respiration by a non-protonophoric mechanism[2]. (TargetMol Bioactive Compound Library)
Compound Sets
2
Selleckchem Bioactive Compound Library
1-hexanol
TargetMol Bioactive Compound Library
TN6891
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
102.1
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
1.56
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data