2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one

C13H20O2 — CID 14090573

IUPAC2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C2CCCCC2)C(C)C1=O
InChIInChI=1S/C13H20O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyLOLHTHRYCDDVPC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.07
Rot. Bonds1

About 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one

2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 14090573) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID14090573
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C2CCCCC2)C(C)C1=O
InChIInChI=1S/C13H20O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h8,10-11,13H,3-7H2,1-2H3
InChIKeyLOLHTHRYCDDVPC-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-cyclohexyl-2,3-dihydropyran-4-one
CID 10219681
2-Cyclohexyl-2,3-dihydropyran-4-one
CID 11008530
(2S)-2-cyclohexyl-2,3-dihydropyran-4-one
CID 58886820
3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
6-Fluoro-3-methyl-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 72483047
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one (CID 14090573) is 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one is CC1=COC(C2CCCCC2)C(C)C1=O.
What is the InChIKey of 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is LOLHTHRYCDDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one?
2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 14090573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).