2-Butyl-2-ethylpentane-1,3-diol
Basic information
- CAS
61013-15-8- Standard SMILES
CCCCC(CC)(CO)C(O)CC- InChIKey
BRYIXFZUYRRHCR-UHFFFAOYSA-N- Molecular formula
- C11H24O2
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.17763
Names & identifiers
- Preferred name
- 2-Butyl-2-ethylpentane-1,3-diol
- IUPAC
- 2-butyl-2-ethylpentane-1,3-diol
Names & synonyms
2-BUTYL-2-ETHYLPENTANE-1,3-DIOL61013-15-8SCHEMBL7929601DTXSID30592867
Database identifiers
- CAS
61013-15-8- PubChem CID
- 18330697
- DTXSID
DTXSID30592867
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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