5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one

C15H20O2 — CID 134859469

IUPAC5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCC1=C(C)CC2=C(C1)C(=O)OC21CCCCC1
InChIInChI=1S/C15H20O2/c1-10-8-12-13(9-11(10)2)15(17-14(12)16)6-4-3-5-7-15/h3-9H2,1-2H3
InChIKeyOUKDZTYCLHYAND-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.67
Rot. Bonds

About 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one

5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 134859469) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID134859469
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCC1=C(C)CC2=C(C1)C(=O)OC21CCCCC1
InChIInChI=1S/C15H20O2/c1-10-8-12-13(9-11(10)2)15(17-14(12)16)6-4-3-5-7-15/h3-9H2,1-2H3
InChIKeyOUKDZTYCLHYAND-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one (CID 134859469) is 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one is CC1=C(C)CC2=C(C1)C(=O)OC21CCCCC1.
What is the InChIKey of 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is OUKDZTYCLHYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-12-13(9-11(10)2)15(17-14(12)16)6-4-3-5-7-15/h3-9H2,1-2H3.
What are the key properties of 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one?
5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylspiro[4,7-dihydro-2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 134859469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).