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1-Octen-3-ol

CAT: 0127-OR937218-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR937218-01Size:100 g
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CAS Number
3391-86-4
MDL Number
MFCD00004589
Purity
98%
Smiles
CCCCCC(O)C=C

Chemical Information

1-Octen-3-Ol

Oct-1-en-3-ol is an alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1C-2. It is a major volatile compound present in many mushrooms and fungi. It has a role as an insect attractant, a volatile oil component, an antimicrobial agent and a fungal metabolite. It is a medium-chain fatty alcohol and an alkenyl alcohol. It derives from a hydride of a 1-octene.

CAS Number3391-86-4
PubChem CID18827
IUPAC Nameoct-1-en-3-ol
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
CCCCCC(C=C)O
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey
VSMOENVRRABVKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Octen-3-Ol
CAS: 3391-86-4
CID: 18827
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity69
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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