10,18-Epoxyrosan-18-one

HCID 220341

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Basic information

CAS: 32854-45-8
Standard SMILES: CCC1(C)CCC2(C)C(CCC3C4(C)CCCC32OC4=O)C1
InChIKey: JKIXPDPPCUAGQZ-UHFFFAOYSA-N
Molecular formula: C20H32O2
Average molar mass: 304.5 g/mol
Monoisotopic mass: 304.24023026

Names & identifiers

Preferred name: 10,18-Epoxyrosan-18-one
IUPAC: 5-ethyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecan-16-one

Names & synonyms

10,18-epoxyrosan-18-one32854-45-8NSC2959DTXSID70277580NSC-2959NSC149549NSC149562NSC-149549NSC-14956259751-40-57-ETHYL-1,4,4B,5,6,7,8,8A.BETA.,9,10,10A-DODECAHYDRO-1.BETA.,4B.BETA.,7-TRIMETHYL-2H-4A,1-(EPOXYMETHANO)PHENANTHREN-12-ONE

Database identifiers

CAS: 32854-45-8、59751-40-5
PubChem CID: 220341
DTXSID: DTXSID70277580

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 514

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