Methyl 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
Basic information
- CAS
54644-24-5- Standard SMILES
COC(=O)C1CC(C)C2CCCC12- InChIKey
SJGBAOXNSRAMEZ-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Methyl 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
- IUPAC
- methyl 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
- English name
- Octahydro-3-methyl-1-pentalenecarboxylic acid methyl ester
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
methyl 3-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate54644-24-5DTXSID80338454RefChem:355089DTXCID40289539Octahydro-3-methyl-1-pentalenecarboxylic acid methyl esterSJGBAOXNSRAMEZ-UHFFFAOYSA-N1-Pentalenecarboxylic acid, octahydro-3-methyl-, methyl esterDB-361493Methyl 3-methyloctahydropentalene-1-carboxylateMethyl 3-methyloctahydro-1-pentalenecarboxylate #
Database identifiers
- CAS
54644-24-5- PubChem CID
- 549195
- DTXSID
DTXSID80338454- Nikkaji
- J101.937F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…