6-cyclohexyl-3-methylpyran-2-one

C12H16O2 — CID 102261328

IUPAC6-cyclohexyl-3-methylpyran-2-one
SMILESCc1ccc(C2CCCCC2)oc1=O
InChIInChI=1S/C12H16O2/c1-9-7-8-11(14-12(9)13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyPXUDGYKJEWNSGW-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.00
Rot. Bonds1

About 6-cyclohexyl-3-methylpyran-2-one

6-cyclohexyl-3-methylpyran-2-one (PubChem CID 102261328) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-cyclohexyl-3-methylpyran-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3-methylpyran-2-one
PubChem CID102261328
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-cyclohexyl-3-methylpyran-2-one
SMILESCc1ccc(C2CCCCC2)oc1=O
InChIInChI=1S/C12H16O2/c1-9-7-8-11(14-12(9)13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyPXUDGYKJEWNSGW-UHFFFAOYSA-N
XLogP3.00
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Violapyrone B
CID 71607042
6-[(E)-2-cyclohexylethenyl]-4-methoxypyran-2-one
CID 137642999
6-Hexyl-4-methylpyran-2-one
CID 11183167
6-Heptyl-4-methylpyran-2-one
CID 21520139
Presuficidin B
CID 71607046
6-Ethyl-3-(2-methylpropyl)-2H-pyran-2-one
CID 167669
4-Methoxy-3-methyl-6-(4-methylpentyl)pyran-2-one
CID 146684006
6-cyclohexyl-4-methyl-2H-pyran-2-one
CID 19858323
6-Heptan-3-yl-4-methylpyran-2-one
CID 21520156
3,5a-Dimethyl-6,7,8,9-tetrahydropyrano[4,3-b]chromen-1-one
CID 44431109
(4aR,5S)-3,4a,5-trimethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
CID 10059741
Nocapyrone H
CID 71604594

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-methylpyran-2-one?
The IUPAC name of 6-cyclohexyl-3-methylpyran-2-one (CID 102261328) is 6-cyclohexyl-3-methylpyran-2-one.
What is the SMILES notation for 6-cyclohexyl-3-methylpyran-2-one?
The canonical SMILES for 6-cyclohexyl-3-methylpyran-2-one is Cc1ccc(C2CCCCC2)oc1=O.
What is the InChIKey of 6-cyclohexyl-3-methylpyran-2-one?
The InChIKey is PXUDGYKJEWNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-7-8-11(14-12(9)13)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-3-methylpyran-2-one?
6-cyclohexyl-3-methylpyran-2-one has a molecular weight of 192.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-methylpyran-2-one is sourced from PubChem (CID 102261328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).