(1R,3S)-3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylic acid

HCID 736666

Notes Reactions

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Basic information

CAS: 1400689-82-8
Standard SMILES: COC(=O)[C@@]1(C)CC[C@@H](C(=O)O)C1(C)C
InChIKey: CNHMFZIFLREWPF-WRWORJQWSA-N
Molecular formula: C11H18O4
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.12050905

Names & identifiers

Preferred name: (1R,3S)-3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylic acid
IUPAC: trans-(1R,3S)-3-methoxycarbonyl-2,2,3-trimethylcyclopentane-1-carboxylic acid

Names & synonyms

PUR64KXN8WSCHEMBL12494007CNHMFZIFLREWPF-WRWORJQWSA-NAKOS0002677801-Methyl (1S,3R)-1,2,2-trimethyl-1,3-cyclopentanedicarboxylate(1R,3S)-3-(methoxycarbonyl)-2,2,3-trimethylcyclopentanecarboxylic acid(1R,3S)-3-(METHOXYCARBONYL)-2,2,3-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, 1-methyl ester, (1S,3R)-1400689-82-8

Database identifiers

CAS: 1400689-82-8
PubChem CID: 736666
UNII: PUR64KXN8W

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 295

Related reactions

2 records

New reaction record

HRID 1408963As productuspto-grants-2014_12

HRID 1408964As reactantuspto-grants-2014_12

Compound notes

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