5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one

C16H24O2 — CID 10562532

IUPAC5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one
SMILESCC1(C)C=C(C2=CC(C)(C)OC2=O)CC(C)(C)C1
InChIInChI=1S/C16H24O2/c1-14(2)7-11(8-15(3,4)10-14)12-9-16(5,6)18-13(12)17/h7,9H,8,10H2,1-6H3
InChIKeySOWFKLTVFZNUJR-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.02
Rot. Bonds1

About 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one

5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one (PubChem CID 10562532) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one
PubChem CID10562532
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one
SMILESCC1(C)C=C(C2=CC(C)(C)OC2=O)CC(C)(C)C1
InChIInChI=1S/C16H24O2/c1-14(2)7-11(8-15(3,4)10-14)12-9-16(5,6)18-13(12)17/h7,9H,8,10H2,1-6H3
InChIKeySOWFKLTVFZNUJR-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one?
The IUPAC name of 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one (CID 10562532) is 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one is CC1(C)C=C(C2=CC(C)(C)OC2=O)CC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one?
The InChIKey is SOWFKLTVFZNUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-14(2)7-11(8-15(3,4)10-14)12-9-16(5,6)18-13(12)17/h7,9H,8,10H2,1-6H3.
What are the key properties of 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one?
5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one has a molecular weight of 248.37 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(3,3,5,5-tetramethylcyclohexen-1-yl)furan-2-one is sourced from PubChem (CID 10562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).