1-Octyn-3-ol

Compound Structure:

Synonyms:

1oct-1-yn-3-ol;1-Octyne-3-ol;3-hydroxyoct-1-yne;Oct-1-yne-3-ol; (1)-Oct-1-yn-3-ol;;rac-1-octyn-3-ol;1-ethynyl-1-hexanol;oct-1 yn-3 ol;(rs)-1-octyn-3-ol;1-Octyn-3-ol

Compound ID:

NMPC-112

PubChem ID:

13166

Molecular Formula:

C8H14O

Canonical SMILES:

CCCCCC(C#C)O

InChIKey:

VUGRNZHKYVHZSN-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H400 (88.89%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	126.20 g/mol
XLogP3-AA	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	126.104465066 g/mol
Monoisotopic Mass	126.104465066 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Clear colorless liquid

Source: PubChem

Source Species:

Tetrapleura tetraptera

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