Basic information
- CAS
6836-40-4- Standard SMILES
CCCCCCCCCC(O)CCCCC- InChIKey
RNZYPFVHWLRVPJ-UHFFFAOYSA-N- Molecular formula
- C15H32O
- Average molar mass
- 228.41 g/mol
- Monoisotopic mass
- 228.24531564
Overview
Pentadecan-6-ol is a secondary fatty alcohol that is pentadecane substituted by a hydroxy group at position 6. It has a role as a bacterial metabolite. It is a secondary fatty alcohol and a pentadecanol.
Names & identifiers
- Preferred name
- 6-Pentadecanol
- IUPAC
- pentadecan-6-ol
- English name
- pentadecan-6-ol
- Molecular formula
- C15H32O
- Molecular weight
- 228.41398
Names & synonyms
Pentadecan-6-ol6-Pentadecanol6836-40-46-hydroxypentadecaneEINECS 229-917-6NSC158521SCHEMBL378654SCHEMBL10335495CHEBI:197383DTXSID701317188AKOS014482731NSC 158521
Show more names
NSC-158521NS00045186
Database identifiers
- CAS
6836-40-4- PubChem CID
- 98974
- DTXSID
DTXSID701317188- ChEBI
CHEBI:197383- EC Number
- 229-917-6
- Nikkaji
- J298.133E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 300.24 °C · 300.24°C (estimate)
- Density
- 0.8221 · 0.8221 (estimate)
- refractive index
- 1.4249 · 1.4249 (estimate)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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
1 records
Compound notes
Loading…