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

C12H18O2 — CID 86228817

IUPAC2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C2CCCCC2)CC1=O
InChIInChI=1S/C12H18O2/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3
InChIKeyYJBZIIKIDQUMNO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds1

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

2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one (PubChem CID 86228817) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one
PubChem CID86228817
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one
SMILESCC1=COC(C2CCCCC2)CC1=O
InChIInChI=1S/C12H18O2/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3
InChIKeyYJBZIIKIDQUMNO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one (CID 86228817) is 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one is CC1=COC(C2CCCCC2)CC1=O.
What is the InChIKey of 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one?
The InChIKey is YJBZIIKIDQUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-8-14-12(7-11(9)13)10-5-3-2-4-6-10/h8,10,12H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one?
2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 86228817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).