1-Octanol for synthesis

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CAS Number

111-87-5

Chemical Information

1-Octanol

Octan-1-ol is an octanol carrying the hydroxy group at position 1. It has a role as an antifungal agent, a fuel additive, a plant metabolite, a bacterial metabolite and a kairomone. It is a primary alcohol and an octanol.

CAS Number	111-87-5
PubChem CID	957
IUPAC Name	octan-1-ol
Molecular Formula	C8H18O
Molecular Weight	130.23
XLogP	3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	43

SMILES

CCCCCCCCO

InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111-87-5

CID: 957

Formula: C8H18O

MW: 130.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	130.23
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	43.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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1-Octanol for synthesis

Chemical Information

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