Basic information
- CAS
85888-02-4- Standard SMILES
CC(CCC(O)C(C)C(O)CC(O)C(C)CO)C(O)CCO- InChIKey
XKWORVDXHNQHIS-UHFFFAOYSA-N- Molecular formula
- C16H34O6
- Average molar mass
- 322.44 g/mol
- Monoisotopic mass
- 322.2355388
Names & identifiers
- Preferred name
- 1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-
- IUPAC
- 2,6,10-trimethyltridecane-1,3,5,7,11,13-hexol
Names & synonyms
1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-85888-02-4DTXSID20343264RefChem:217120DTXCID802943442,6,10-trimethyltridecane-1,3,5,7,11,13-hexol1,3,5,7,11,13-Hexahydroxy-2,6,10-trimethyltridecaneXKWORVDXHNQHIS-UHFFFAOYSA-N2,6,10-Trimethyltridecan-1,3,5,7,11,13-hexaol2,6,10-Trimethyl-1,3,5,7,11,13-tridecanehexol #
Database identifiers
- CAS
85888-02-4- PubChem CID
- 588558
- DTXSID
DTXSID20343264- Nikkaji
- J616.354H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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