Basic information
- CAS
96850-31-6- Standard SMILES
CCCCCCCCC(O)CCCCCCCCCCCCCCC(O)CCCCC- InChIKey
CTMPSTSOUDNRQN-UHFFFAOYSA-N- Molecular formula
- C29H60O2
- Average molar mass
- 440.8 g/mol
- Monoisotopic mass
- 440.45933115
Names & identifiers
- Preferred name
- 6,21-Nonacosanediol
- IUPAC
- nonacosane-6,21-diol
Names & synonyms
6,21-Nonacosanediol96850-31-6DTXSID80415774RefChem:305990DTXCID50366623nonacosane-6,21-diolNonacosanediol-6,21
Database identifiers
- CAS
96850-31-6- PubChem CID
- 5320189
- DTXSID
DTXSID80415774
Properties
Computed structural properties
- XLogP
- 12.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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