7H-3,11b-Epoxy-2H-naphtho(1,2-b)(1,4)dioxepin-7-one, 6-cyclohexyl-3,4-dihydro-

HCID 341853

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Basic information

CAS: 83570-35-8
Standard SMILES: O=C1C(C2CCCCC2)=C2OCC3COC2(O3)c2ccccc21
InChIKey: NYIVNVMZAMRWKZ-UHFFFAOYSA-N
Molecular formula: C19H20O4
Average molar mass: 312.4 g/mol
Monoisotopic mass: 312.13615911

Names & identifiers

Preferred name: 7H-3,11b-Epoxy-2H-naphtho(1,2-b)(1,4)dioxepin-7-one, 6-cyclohexyl-3,4-dihydro-
IUPAC: 9-cyclohexyl-11,15,16-trioxatetracyclo[11.2.1.01,10.02,7]hexadeca-2,4,6,9-tetraen-8-one

Names & synonyms

83570-35-8S38INAJ1JLUNII-S38INAJ1JLNSC375962NSC 3759627H-3,11b-Epoxy-2H-naphtho(1,2-b)(1,4)dioxepin-7-one, 6-cyclohexyl-3,4-dihydro-NSC-3759626-Cyclohexyl-3,4-dihydro-7H-3,11b-epoxy-2H-naphtho(1,2-b)(1,4)dioxepin-7-onecyclohexyl[?]one7H-3,11b-Epoxy-2H-naphtho[1,2-b][1,4]dioxepin-7-one, 6-cyclohexyl-3,4-dihydro-DTXSID7010035716-Cyclohexyl-3,4-dihydro-2H,7H-3,11b-epoxynaphtho[1,2-b][1,4]dioxepin-7-one

Database identifiers

CAS: 83570-35-8
PubChem CID: 341853
DTXSID: DTXSID701003571
UNII: S38INAJ1JL

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 548

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