{[6-(Propan-2-yl)cyclohex-3-en-1-ylidene]methanediyl}dibenzene-4,1-diyl diacetate

HCID 280765

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Basic information

CAS: 83177-39-3
Standard SMILES: CC(=O)Oc1ccc(C(=C2CC=CCC2C(C)C)c2ccc(OC(C)=O)cc2)cc1
InChIKey: QDPGBHOCBUJKDJ-UHFFFAOYSA-N
Molecular formula: C26H28O4
Average molar mass: 404.5 g/mol
Monoisotopic mass: 404.19875937

Names & identifiers

Preferred name: {[6-(Propan-2-yl)cyclohex-3-en-1-ylidene]methanediyl}dibenzene-4,1-diyl diacetate
IUPAC: [4-[(4-acetyloxyphenyl)-(6-propan-2-ylcyclohex-3-en-1-ylidene)methyl]phenyl] acetate

Names & synonyms

83177-39-3{[6-(propan-2-yl)cyclohex-3-en-1-ylidene]methanediyl}dibenzene-4,1-diyl diacetateNSC132909DTXSID20299797NSC-132909{[6-(Propan-2-yl)cyclohex-3-en-1-ylidene]methylene}di(4,1-phenylene) diacetate

Database identifiers

CAS: 83177-39-3
PubChem CID: 280765
DTXSID: DTXSID20299797

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 621

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