Basic information
- CAS
4340-76-5- Standard SMILES
CCCCCCCCCCCCCCCCCCC(C)O- InChIKey
RHEVFAMQJMWLFS-UHFFFAOYSA-N- Molecular formula
- C20H42O
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.32356596
Overview
Icosan-2-ol is a secondary fatty alcohol that is icosane substituted by a hydroxy group at position 2. It has a role as a bacterial metabolite. It is a secondary fatty alcohol and an icosanol.
Names & identifiers
- Preferred name
- 2-Eicosanol
- IUPAC
- icosan-2-ol
- English name
- 2-eicosanol
- Molecular formula
- C20H42O
- Molecular weight
- 298.55
Names & synonyms
2-Eicosanol4340-76-5RefChem:86807icosan-2-ol1-Methyl-1-nonadecanol2-Icosanol2-hydroxyicosane2-hydroxyeicosaneeicosan-2-ol2-Icosanol #SCHEMBL400932SCHEMBL1999166
Show more names
SCHEMBL2798022SCHEMBL20377396DTXSID20963007CHEBI:197481
Database identifiers
- CAS
4340-76-5- PubChem CID
- 65142
- DTXSID
DTXSID20963007- ChEBI
CHEBI:197481- Nikkaji
- J108.348A
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 60 °C · 60°C
- Boiling point
- 369.95 °C · 369.95°C (estimate)
- Density
- 0.8378 · 0.8378
- refractive index
- 1.44 · 1.4400 (estimate)
- pka
- 15.26 · 15.26±0.20(Predicted)
Chemistry & industry
Suppliers2 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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