2-Cyclohexyl-5-methylfuran-3-one

C11H16O2 — CID 4447644

IUPAC2-cyclohexyl-5-methylfuran-3-one
SMILESCC1=CC(=O)C(O1)C2CCCCC2
InChIInChI=1S/C11H16O2/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3
InChIKeyOOGVPRUONAQCBN-UHFFFAOYSA-N
MW180.24 g/mol
LogP2.80
Rot. Bonds1

About 2-Cyclohexyl-5-methylfuran-3-one

2-Cyclohexyl-5-methylfuran-3-one (PubChem CID 4447644) has the molecular formula C11H16O2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylfuran-3-one.

Molecular Properties

Compound Name2-Cyclohexyl-5-methylfuran-3-one
PubChem CID4447644
Molecular FormulaC11H16O2
Molecular Weight180.24 g/mol
Exact Mass180.12
IUPAC Name2-cyclohexyl-5-methylfuran-3-one
SMILESCC1=CC(=O)C(O1)C2CCCCC2
InChIInChI=1S/C11H16O2/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3
InChIKeyOOGVPRUONAQCBN-UHFFFAOYSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity236

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3(2H)-Furanone, 5-methyl-2-octyl-
CID 529383
3(2H)-Furanone, 2-hexyl-5-methyl-
CID 566912
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
(2R)-2-hexyl-5-methylfuran-3-one
CID 162906851
2-Dodecyl-5-(2-methoxyethyl)-2-methyluran-3-one
CID 162938508
(2R)-5-methyl-2-octylfuran-3-one
CID 162966106
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
CID 56590259
(6S)-6-hexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 25223926
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055622
5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11240800
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
CID 11321703

Frequently Asked Questions

What is the IUPAC name of 2-Cyclohexyl-5-methylfuran-3-one?
The IUPAC name of 2-Cyclohexyl-5-methylfuran-3-one (CID 4447644) is 2-cyclohexyl-5-methylfuran-3-one.
What is the SMILES notation for 2-Cyclohexyl-5-methylfuran-3-one?
The canonical SMILES for 2-Cyclohexyl-5-methylfuran-3-one is CC1=CC(=O)C(O1)C2CCCCC2.
What is the InChIKey of 2-Cyclohexyl-5-methylfuran-3-one?
The InChIKey is OOGVPRUONAQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 2-Cyclohexyl-5-methylfuran-3-one?
2-Cyclohexyl-5-methylfuran-3-one has a molecular weight of 180.24 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Cyclohexyl-5-methylfuran-3-one is sourced from PubChem (CID 4447644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).