2-Hexyl-1-octanola

2-Hexyl-1-octanola
Compound Structure:
Synonyms: 2-Hexyl-1-octanol;19780-79-1;2-hexyloctan-1-ol;1-Octanol, 2-hexyl-;2-Hexyl-1-n-octanol;2-hexyloctanol;2-hexyloctyl alcohol;5D8007Z3JI;2-Hexyl-n-octyl Alcohol
Compound ID: NMPC-246
PubChem ID:

545551
Molecular Formula: C14H30O
Canonical SMILES: CCCCCCC(CCCCCC)CO
InChIKey: QNMCWJOEQBZQHB-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

214.39 g/mol

XLogP3-AA

5.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

11

Exact Mass

214.229665576 g/mol

Monoisotopic Mass

214.229665576 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

99.9

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

Source: PubChem                                                         
Source Species: Anacardium occidentale
Annona senegalensis
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