Sodium alpha-phenylpentyl camphorate

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Basic information

CAS: 4201-91-6
Standard SMILES: CCCCC(OC(=O)C1(C)CCC(C(=O)[O-])C1(C)C)c1ccccc1.[Na+]
InChIKey: BQQNNFIQWYZEDL-UHFFFAOYSA-M
Molecular formula: C21H29NaO4
Average molar mass: 368.4 g/mol
Monoisotopic mass: 368.19635368

Names & identifiers

Preferred name: Sodium alpha-phenylpentyl camphorate
IUPAC: sodium 2,2,3-trimethyl-3-(1-phenylpentoxycarbonyl)cyclopentane-1-carboxylate

Names & synonyms

Sodium alpha-phenylpentyl camphorate4201-91-6UNII-JMI2J3HV6TJMI2J3HV6TSodium 1-(1-phenylpentyl) camphorateEINECS 224-107-9BQQNNFIQWYZEDL-UHFFFAOYSA-MDTXSID101369686NS00048334SODIUM .ALPHA.-PHENYLPENTYL CAMPHORATEQ27281576CAMPHORIC ACID, 1-(.ALPHA.-BUTYLBENZYL) ESTER, SODIUM SALT

Show more names

1,3-CYCLOPENTANEDICARBOXYLIC ACID, 1,2,2-TRIMETHYL-, 1-(1-PHENYLPENTYL) ESTER, SODIUM SALT (1:1)

Database identifiers

CAS: 4201-91-6
PubChem CID: 23690146
DTXSID: DTXSID101369686
UNII: JMI2J3HV6T
EC Number: 224-107-9
Nikkaji: J224.995B

Properties

Computed structural properties

Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 484

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Compound notes

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