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1-Pentanol

CAT: 0063-90028462-01Size: 500 gDry Ice: NoHazardous: No
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CAT#:0063-90028462-01Size:500 g
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CAS Number
71-41-0

Chemical Information

1-Pentanol

Pentan-1-ol is a short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. It has a role as a plant metabolite and a human metabolite. It is a pentanol and a short-chain primary fatty alcohol.

CAS Number71-41-0
PubChem CID6276
IUPAC Namepentan-1-ol
Molecular FormulaC5H12O
Molecular Weight88.15
XLogP1.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
CCCCCO
InChI
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey
AMQJEAYHLZJPGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Pentanol
CAS: 71-41-0
CID: 6276
Formula: C5H12O
MW: 88.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight88.15
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass88.088815002
Monoisotopic Mass88.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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