Basic information
- CAS
55109-62-1- Standard SMILES
CCCCCC(O)C(CO)CCCC- InChIKey
KBGFEZLHKQYIPE-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Names & identifiers
- Preferred name
- 2-Butyloctane-1,3-diol
- IUPAC
- 2-butyloctane-1,3-diol
Names & synonyms
2-butyl-1,3-octanediol55109-62-12-butyloctane-1,3-diolNSC166474SCHEMBL730670DTXSID00304616AKOS024332634NSC-166474
Database identifiers
- CAS
55109-62-1- PubChem CID
- 296372
- DTXSID
DTXSID00304616- Nikkaji
- J803.294G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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