2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one

C12H18O2 — CID 10943376

IUPAC2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(C2=COCCC2)C1
InChIInChI=1S/C12H18O2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h8-9,11H,2-7H2,1H3
InChIKeyVJAVSBCWRQEYNY-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds1

About 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one

2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one (PubChem CID 10943376) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one
PubChem CID10943376
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)C(C2=COCCC2)C1
InChIInChI=1S/C12H18O2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h8-9,11H,2-7H2,1H3
InChIKeyVJAVSBCWRQEYNY-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,8S,8aR)-4,8-dimethyl-4a,5,6,7,8,8a-hexahydroisochromen-1-one
CID 163029229
(4R,4aS,7R,8S)-4,7-dimethyl-8-(3-oxobutyl)-4,4a,5,6,7,8-hexahydroisochromen-3-one
CID 21631199
methyl (2R)-2-[(1S,2E,3S,4R)-2-(methoxymethylidene)-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoate
CID 11380927
3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
4-[(1S,2E)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 14414123
4-[(1S,2Z)-3-(2-hydroxyethyl)-2-(methoxymethylidene)cyclohexyl]butan-2-one
CID 134882177
methyl 2-[(1S,2E,3S,4R)-2-(methoxymethylidene)-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoate
CID 134882194
4-[(1R,2E)-2-(methoxymethylidene)-5-methylcyclohexyl]butan-2-one
CID 134882451
4-[(1R,2E)-2-(methoxymethylidene)-5,5-dimethylcyclohexyl]butan-2-one
CID 134882582
methyl (2R)-2-[(1S,3S,4R)-2-(methoxymethylidene)-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoate
CID 135024091
methyl (2R)-2-[(1S,2Z,3S,4R)-2-(methoxymethylidene)-4-methyl-3-(3-oxobutyl)cyclohexyl]propanoate
CID 135024229

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one (CID 10943376) is 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one is CC1CCC(=O)C(C2=COCCC2)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one?
The InChIKey is VJAVSBCWRQEYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-4-5-12(13)11(7-9)10-3-2-6-14-8-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one?
2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-5-yl)-4-methylcyclohexan-1-one is sourced from PubChem (CID 10943376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).