(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one

C12H16O3 — CID 86277969

IUPAC(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one
SMILESCC[C@@]1([C@@H]2CCCC(=O)C2)C=CC(=O)O1
InChIInChI=1S/C12H16O3/c1-2-12(7-6-11(14)15-12)9-4-3-5-10(13)8-9/h6-7,9H,2-5,8H2,1H3/t9-,12+/m1/s1
InChIKeyRASXCUBIVRJQQI-SKDRFNHKSA-N
MW208.26 g/mol
LogP2.01
Rot. Bonds2

About (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one

(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one (PubChem CID 86277969) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one
PubChem CID86277969
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one
SMILESCC[C@@]1([C@@H]2CCCC(=O)C2)C=CC(=O)O1
InChIInChI=1S/C12H16O3/c1-2-12(7-6-11(14)15-12)9-4-3-5-10(13)8-9/h6-7,9H,2-5,8H2,1H3/t9-,12+/m1/s1
InChIKeyRASXCUBIVRJQQI-SKDRFNHKSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one with MolForge

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Related Compounds

MKN-003a
CID 11075054
NCGC00381246-01_C20H30O5_2-Cyclopentene-1-octanoic acid, 1-(acetyloxy)-4-oxo-5-[(2Z)-2-penten-1-yl]-
CID 45782994
(2S)-2-(6-methyl-7-oxooctyl)-2H-furan-5-one
CID 10799173
methyl (3aR,7aR)-2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
CID 44419534
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
CID 71453698
Sarcophytonolide C
CID 11392986
(2S)-2-[(6R)-6-methyl-7-oxooctyl]-2H-furan-5-one
CID 25053250
(2S)-2-[(6S)-6-methyl-7-oxooctyl]-2H-furan-5-one
CID 92466464
methyl 2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
CID 162819211
(5S,8E,12R,13R)-5,9-dimethyl-12-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione
CID 162851998
5-methyl-5-[(1S)-4-methylcyclohex-3-en-1-yl]-3-methylideneoxolan-2-one
CID 134865751
(1Z,5S,8aS,12aS)-5-ethenyl-5,8a,12,12-tetramethyl-6,7,9,10,11,12a-hexahydro-4-benzoxecine-3,8-dione
CID 101619536

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one?
The IUPAC name of (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one (CID 86277969) is (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one.
What is the SMILES notation for (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one?
The canonical SMILES for (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one is CC[C@@]1([C@@H]2CCCC(=O)C2)C=CC(=O)O1.
What is the InChIKey of (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one?
The InChIKey is RASXCUBIVRJQQI-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-12(7-6-11(14)15-12)9-4-3-5-10(13)8-9/h6-7,9H,2-5,8H2,1H3/t9-,12+/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one?
(5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[(1R)-3-oxocyclohexyl]furan-2-one is sourced from PubChem (CID 86277969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).