(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one

C12H18O2 — CID 10821644

IUPAC(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1C(=O)C=CO[C@H]1C1CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h7-10,12H,2-6H2,1H3/t9-,12+/m0/s1
InChIKeyWYELGSFPABGNDI-JOYOIKCWSA-N
MW194.27 g/mol
LogP2.68
Rot. Bonds1

About (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one

(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one (PubChem CID 10821644) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
PubChem CID10821644
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one
SMILESC[C@H]1C(=O)C=CO[C@H]1C1CCCCC1
InChIInChI=1S/C12H18O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h7-10,12H,2-6H2,1H3/t9-,12+/m0/s1
InChIKeyWYELGSFPABGNDI-JOYOIKCWSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-cyclohexyl-3-methyloxetan-2-one
CID 11275238
2-cyclohexyl-1,3-dioxin-4-one
CID 13399415
5-cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 44558834
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
4,5-dicyclohexyl-2-propan-2-ylidene-1,3-dioxolane
CID 174373573
(2S,3R)-2,3-dicyclohexyloxirane
CID 169013366
(3R,4S,5S)-4-cyclohexyl-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 10398275
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
(4S)-4,5-dimethylcyclopent-2-en-1-one
CID 59939751
(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
2,3-dicyclohexylcyclopropan-1-one
CID 11172060
(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane
CID 100996137

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one (CID 10821644) is (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one is C[C@H]1C(=O)C=CO[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one?
The InChIKey is WYELGSFPABGNDI-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h7-10,12H,2-6H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one?
(2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one has a molecular weight of 194.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-cyclohexyl-3-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 10821644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).