3-cyclohexyl-2-methyl-2H-furan-5-one

C11H16O2 — CID 121218092

IUPAC3-cyclohexyl-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1C1CCCCC1
InChIInChI=1S/C11H16O2/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyGUHCOXCYRJKZLH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds1

About 3-cyclohexyl-2-methyl-2H-furan-5-one

3-cyclohexyl-2-methyl-2H-furan-5-one (PubChem CID 121218092) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-2H-furan-5-one
PubChem CID121218092
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-cyclohexyl-2-methyl-2H-furan-5-one
SMILESCC1OC(=O)C=C1C1CCCCC1
InChIInChI=1S/C11H16O2/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyGUHCOXCYRJKZLH-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carvyl acetate
CID 7335
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
p-Mentha-1,8(10)-dien-9-yl acetate
CID 61781
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
Sinodor
CID 89382
1-Cyclohexylethyl 2-butenoate
CID 107073
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methylundec-2-en-4-olide
CID 21778197
10-Methyldodec-2-en-4-olide
CID 21778198

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyl-2H-furan-5-one?
The IUPAC name of 3-cyclohexyl-2-methyl-2H-furan-5-one (CID 121218092) is 3-cyclohexyl-2-methyl-2H-furan-5-one.
What is the SMILES notation for 3-cyclohexyl-2-methyl-2H-furan-5-one?
The canonical SMILES for 3-cyclohexyl-2-methyl-2H-furan-5-one is CC1OC(=O)C=C1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methyl-2H-furan-5-one?
The InChIKey is GUHCOXCYRJKZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-2-methyl-2H-furan-5-one?
3-cyclohexyl-2-methyl-2H-furan-5-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-2H-furan-5-one is sourced from PubChem (CID 121218092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).