Basic information
- CAS
2157-31-5- Standard SMILES
CCC(O)C(C)(C)CO- InChIKey
QHDADHHODABHLK-UHFFFAOYSA-N- Molecular formula
- C7H16O2
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.11502975
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1,3-pentanediol
- IUPAC
- 2,2-dimethylpentane-1,3-diol
Names & synonyms
2,2-Dimethyl-1,3-pentanediol2157-31-51,3-Pentanediol, 2,2-dimethyl-RefChem:10591072,2-dimethylpentane-1,3-diolBRN 16978182,2,4-Trimethylbutandiol-1,32,2,4-Trimethylbutandiol-1,3 [German]2.2-Dimethylpentandiol-1.3SCHEMBL133093SCHEMBL8639116DTXSID90944181
Show more names
QHDADHHODABHLK-UHFFFAOYSA-N0-01-00-00490 (Beilstein Handbook Reference)
Database identifiers
- CAS
2157-31-5- PubChem CID
- 200489
- DTXSID
DTXSID90944181- Nikkaji
- J701.575E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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