Basic information
- CAS
2213-00-5- Standard SMILES
COC(=O)C12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@@H]12- InChIKey
WWEGKHYWESCXOK-CCZPAOOHSA-N- Molecular formula
- C16H20O4
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.13615911
Names & identifiers
- Preferred name
- Methyl marasmate
- IUPAC
- methyl (1aR,3aS,6aS)-1a,2-diformyl-5,5-dimethyl-3a,4,6,6a-tetrahydro-1H-cyclopropa[e]indene-6b-carboxylate
Names & synonyms
Methyl marasmate2213-00-5CCRIS 1702Marasmic acid methyl esterMQ4LN968Y9UNII-MQ4LN968Y9Cycloprop(e)indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethyl-, methyl ester, (1aS-(1a-alpha,3a-beta,6a-beta,6b-alpha))-DTXSID109447691a,2-Diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethylcycloprop[e]indene-6b(1H)-carboxylic acid methyl estermethyl (1aR,3aS,6aS)-1a,2-diformyl-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylateMethyl 1a,2-diformyl-5,5-dimethyl-1a,3a,4,5,6,6a-hexahydrocyclopropa[e]indene-6b(1H)-carboxylate
Database identifiers
- CAS
2213-00-5- PubChem CID
- 16655
- DTXSID
DTXSID10944769
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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