Methyl camphorate
Basic information
- CAS
219496-46-5- Standard SMILES
COC(=O)[C@@H]1CC[C@](C)(C(=O)O)C1(C)C- InChIKey
VFNNTVXOZWMVGX-WRWORJQWSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- Methyl camphorate
- IUPAC
- trans-(1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid
Names & synonyms
Methyl camphorate219496-46-5Methyl camphorate, (+/-)-Methyl camphorate, (-)-ZG0T7I1N0L(1S,3R)-3-(methoxycarbonyl)-1,2,2-trimethylcyclopentanecarboxylic acid(1S,3R)-3-(METHOXYCARBONYL)-1,2,2-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID2J40EV4V2ZMethyl camphorate, (1S,3R)-26252-15-31,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 3-methyl ester, cis-1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 3-methyl ester, (1S,3R)-
Show more names
UNII-ZG0T7I1N0LUNII-2J40EV4V2ZSCHEMBL2533909VFNNTVXOZWMVGX-WRWORJQWSA-NMETHYL CAMPHORATE [WHO-DD](1S,3R)-3-methoxycarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acidAKOS000267791CS-0260586
Database identifiers
- CAS
219496-46-5、26252-15-3- PubChem CID
- 736663
- UNII
- 2J40EV4V2Z、ZG0T7I1N0L
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
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Related reactions
1 records
Compound notes
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