Basic information
- CAS
29772-40-5- Standard SMILES
CCCCC(C)(O)C(C)(C)C- InChIKey
GCLFPNQSLCWZAQ-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 3-Heptanol, 2,2,3-trimethyl-
- IUPAC
- 2,2,3-trimethylheptan-3-ol
Names & synonyms
3-Heptanol, 2,2,3-trimethyl-29772-40-52,2,3-trimethylheptan-3-ol2,2,3-TRIMETHYL-3-HEPTANOLDTXSID90434815GCLFPNQSLCWZAQ-UHFFFAOYSA-N
Database identifiers
- CAS
29772-40-5- PubChem CID
- 10057782
- DTXSID
DTXSID90434815- Nikkaji
- J773.279A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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