Basic information
- CAS
13416-69-8- Standard SMILES
CC1(C)CC(O)C(=O)O1- InChIKey
FQQIPIVZYKEWGI-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- 2-Hydroxy4,4-dimethyl-gamma-butyrolactone
- IUPAC
- 3-hydroxy-5,5-dimethyloxolan-2-one
Names & synonyms
13416-69-82-hydroxy4,4-dimethyl-gamma-butyrolactone3-HYDROXY-5,5-DIMETHYLOXOLAN-2-ONE2(3H)-Furanone, dihydro-3-hydroxy-5,5-dimethyl-SCHEMBL4612224DTXSID30436595FQQIPIVZYKEWGI-UHFFFAOYSA-Nalpha-hydroxy-gamma,gamma-dimethyl-gamma-butyrolactone
Database identifiers
- CAS
13416-69-8- PubChem CID
- 10197703
- DTXSID
DTXSID30436595- Nikkaji
- J2.173.454C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Related reactions
8 records
Compound notes
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