Heptacosan-1-ol

Heptacosan-1-ol
Compound Structure:
Synonyms: Heptacosanol; 1-Heptacosanol; n-Heptacosanol
Compound ID: NMPC-1095
PubChem ID:

74822
Molecular Formula: C27H56O
Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIKey: ULCZGKYHRYJXAU-UHFFFAOYSA-N
About the compound:

Heptacosan-1-ol is a very long-chain primary fatty alcohol that is heptacosane in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. It has a role as a plant metabolite, a marine metabolite and an algal metabolite.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

396.7 g/mol

XLogP3

13.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

25

Exact Mass

396.433116406 g/mol

Monoisotopic Mass

396.433116406 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

251

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: Scleria depressa
Download SDF