(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one

C11H16O3 — CID 24766436

IUPAC(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one
SMILESC[C@H]1CCCC[C@]1(O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O3/c1-8-4-2-3-7-11(8,13)9-5-6-10(12)14-9/h5-6,8-9,13H,2-4,7H2,1H3/t8-,9+,11+/m0/s1
InChIKeyFNNCIRZOLLVEBJ-IQJOONFLSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds1

About (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one

(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one (PubChem CID 24766436) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one
PubChem CID24766436
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one
SMILESC[C@H]1CCCC[C@]1(O)[C@H]1C=CC(=O)O1
InChIInChI=1S/C11H16O3/c1-8-4-2-3-7-11(8,13)9-5-6-10(12)14-9/h5-6,8-9,13H,2-4,7H2,1H3/t8-,9+,11+/m0/s1
InChIKeyFNNCIRZOLLVEBJ-IQJOONFLSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S,5R)-3,4-dihydroxy-5-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-3-methyloxolan-2-one
CID 102254228
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(3E,5R,6S,19S)-5,6-dihydroxy-19-methyl-1-oxacyclononadec-3-en-2-one
CID 162811668
6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 72795950
(3Z,5R,6S,7R,18S)-5,6,7-trihydroxy-18-methyl-1-oxacyclooctadec-3-en-2-one
CID 102067217
4-hydroxy-1,4,12-trimethylspiro[4.7]dodecan-3-one
CID 71103192
(3Z,5S,8R,11Z,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 24871236
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
2-methylcyclohexane-1,1-dicarbonyl chloride
CID 87557674
2-cyclopentyloxy-2H-furan-5-one
CID 22445978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one (CID 24766436) is (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one is C[C@H]1CCCC[C@]1(O)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one?
The InChIKey is FNNCIRZOLLVEBJ-IQJOONFLSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-4-2-3-7-11(8,13)9-5-6-10(12)14-9/h5-6,8-9,13H,2-4,7H2,1H3/t8-,9+,11+/m0/s1.
What are the key properties of (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one?
(2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one has a molecular weight of 196.25 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S)-1-hydroxy-2-methylcyclohexyl]-2H-furan-5-one is sourced from PubChem (CID 24766436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).