4a,9-Dimethyl-3-methylideneoctahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dione

HCID 98459

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Basic information

CAS: 17299-24-0
Standard SMILES: C=C1C(=O)OC2CC(C)C3CC(=O)OCC3(C)CC12
InChIKey: GKYRUDQNQRLJRF-UHFFFAOYSA-N
Molecular formula: C15H20O4
Average molar mass: 264.32 g/mol
Monoisotopic mass: 264.13615911

Names & identifiers

Preferred name: 4a,9-Dimethyl-3-methylideneoctahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dione
IUPAC: 1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.03,7]tetradecane-5,12-dione

Names & synonyms

4a,9-dimethyl-3-methylideneoctahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dioneDTXSID30275941NCI60_000834DS-000052DS-0111294a,9-Dimethyl-3-methyleneoctahydrofuro[2',3':5,6]cyclohepta[1,2-c]pyran-2,7(3H,4H)-dione5,10a-dimethyl-9-methylene-1,4,4a,5,6,6a,9a,10-octahydrofuro[[?]:[?]]cyclohepta[[?]]pyran-3,8-dioneFuro[2,3:5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dione,octahydro-4a,9-dimethyl-3-methylene-, (3ar,4as,8as,9r,10ar)-Furo[2,3:5,6]cyclohepta[1,2-c]pyran-2,7(3h,4h)-dione,octahydro-4a,9-dimethyl-3-methylene-, (3ar,4as,8as,9r,10as)-

Database identifiers

CAS: 17299-24-0
PubChem CID: 98459
DTXSID: DTXSID30275941

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 455

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