4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one

C12H16O2 — CID 11629748

IUPAC4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one
SMILESCC1=CC(C2=CCCCC2C)OC1=O
InChIInChI=1S/C12H16O2/c1-8-5-3-4-6-10(8)11-7-9(2)12(13)14-11/h6-8,11H,3-5H2,1-2H3
InChIKeyXSJCTQNIBGENSW-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.60
Rot. Bonds1

About 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one

4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one (PubChem CID 11629748) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one
PubChem CID11629748
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one
SMILESCC1=CC(C2=CCCCC2C)OC1=O
InChIInChI=1S/C12H16O2/c1-8-5-3-4-6-10(8)11-7-9(2)12(13)14-11/h6-8,11H,3-5H2,1-2H3
InChIKeyXSJCTQNIBGENSW-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carvyl acetate
CID 7335
Citronellyl tiglate
CID 6386037
Perillyl acetate
CID 61780
Sarcophine
CID 6436805
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
5-hexylfuran-2(5H)-one
CID 102833
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Sedanolide
CID 5018391
Aristolactone
CID 13821316
Carvyl acetate, (1S,5S)-
CID 81544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one?
The IUPAC name of 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one (CID 11629748) is 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one is CC1=CC(C2=CCCCC2C)OC1=O.
What is the InChIKey of 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one?
The InChIKey is XSJCTQNIBGENSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-3-4-6-10(8)11-7-9(2)12(13)14-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one?
4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one has a molecular weight of 192.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(6-methylcyclohexen-1-yl)-2H-furan-5-one is sourced from PubChem (CID 11629748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).