2H-Pyran-2-one, tetrahydro-4,6-dimethyl-
Basic information
- CAS
3720-20-5- Standard SMILES
CC1CC(=O)OC(C)C1- InChIKey
KSFJZYURRNSMGO-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, tetrahydro-4,6-dimethyl-
- IUPAC
- 4,6-dimethyloxan-2-one
Names & synonyms
3720-20-52H-Pyran-2-one, tetrahydro-4,6-dimethyl-Hexanoic acid, 5-hydroxy-3-methyl-, .delta.-lactone4,6-dimethyloxan-2-oneNSC1347773,5-dimethyl-valerolactoneHexanoic acid, 5-hydroxy-3-methyl-, delta-lactoneSCHEMBL8749613DTXSID90958384KSFJZYURRNSMGO-UHFFFAOYSA-N4,6-dimethyl-tetrahydro-pyran-2-oneNSC 134777
Show more names
NSC-1347774,6-Dimethyltetrahydro-2H-pyran-2-one #
Database identifiers
- CAS
3720-20-5- PubChem CID
- 138017
- DTXSID
DTXSID90958384
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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