Basic information
- CAS
112989-27-2- Standard SMILES
Cc1ccc(C(C)OC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1- InChIKey
TTYRLXBSVQQISE-UHFFFAOYSA-N- Molecular formula
- C19H26O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.18310931
Names & identifiers
- Preferred name
- 1,2,2-Trimethyl-3-((1-(4-methylphenyl)ethoxy)carbonyl)cyclopentanecarboxylic acid
- IUPAC
- 1,2,2-trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
Names & synonyms
1,2,2-Trimethyl-3-((1-(4-methylphenyl)ethoxy)carbonyl)cyclopentanecarboxylic acid112989-27-2DTXSID308599221,2,2-trimethyl-3-{[1-(4-methylphenyl)ethoxy]carbonyl}cyclopentane-1-carboxylic acid
Database identifiers
- CAS
112989-27-2- PubChem CID
- 5498
- DTXSID
DTXSID30859922- Nikkaji
- J238.251B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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