[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate

C12H16O4 — CID 102186232

IUPAC[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H16O4/c1-8(13)15-10-7-11(14)16-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3/t12-/m1/s1
InChIKeyAHNATEBHZOLGNN-GFCCVEGCSA-N
MW224.26 g/mol
LogP1.94
Rot. Bonds2

About [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate

[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate (PubChem CID 102186232) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
PubChem CID102186232
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@@H]1C1CCCCC1
InChIInChI=1S/C12H16O4/c1-8(13)15-10-7-11(14)16-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3/t12-/m1/s1
InChIKeyAHNATEBHZOLGNN-GFCCVEGCSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-Methyldodec-2-en-4-olide
CID 21778198
4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
(2S)-2-[(6S)-6-methyloctyl]-2H-uran-5-one
CID 156581188
2-cyclohexyl-2H-furan-5-one
CID 10986612
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
ethyl (2E)-2-(3-butyloxolan-2-ylidene)acetate
CID 134970385
(2S)-2-cyclohexyl-2H-furan-5-one
CID 11805125
[(2R)-2-methyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 13146631
[(2R)-2-pentyl-1-oxaspiro[4.5]dec-3-en-4-yl] acetate
CID 14891633
[(E)-1-cyclohexylbut-2-enyl] acetate
CID 14993075
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
3-methoxy-2-nonyl-2H-furan-5-one
CID 101474324

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate?
The IUPAC name of [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate (CID 102186232) is [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate.
What is the SMILES notation for [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate?
The canonical SMILES for [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate is CC(=O)OC1=CC(=O)O[C@@H]1C1CCCCC1.
What is the InChIKey of [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate?
The InChIKey is AHNATEBHZOLGNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)15-10-7-11(14)16-12(10)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate?
[(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate has a molecular weight of 224.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-cyclohexyl-5-oxo-2H-furan-3-yl] acetate is sourced from PubChem (CID 102186232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).