Basic information
- CAS
24588-61-2- Standard SMILES
COC(=O)C1CC(C)=C(C)CO1- InChIKey
HWSFPBXBHYMRPQ-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.0942943
Names & identifiers
- Preferred name
- methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
- IUPAC
- methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
- English name
- 4,5-Dimethyl-3,6-dihydro-2H-pyran-2-carboxylic acid methyl ester
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
24588-61-2methyl 4,5-dimethyl-3,6-dihydro-2H-pyran-2-carboxylateDTXSID609474622H-Pyran-2-carboxylic acid, 3,6-dihydro-4,5-dimethyl-, methyl ester4,5-Dimethyl-3,6-dihydro-2H-pyran-2-carboxylic acid methyl ester3,6-Dihydro-4,5-dimethyl-2H-pyran-2-carboxylic acid methyl ester
Database identifiers
- CAS
24588-61-2- PubChem CID
- 32502
- DTXSID
DTXSID60947462- Nikkaji
- J102.328D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- LogP
- 1.99 · 1.990 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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