3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone

C13H20O2 — CID 106829699

IUPAC3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CCCCC1
InChIInChI=1S/C13H20O2/c1-13(7-3-2-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3
InChIKeyFTFGQPDEXJZMGA-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone

3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone (PubChem CID 106829699) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone
PubChem CID106829699
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CCCCC1
InChIInChI=1S/C13H20O2/c1-13(7-3-2-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3
InChIKeyFTFGQPDEXJZMGA-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)cyclohexanone
CID 12461795
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
2-(2-Ethoxy-2-propenyl)-2-methylcyclohexanone
CID 24977073
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105127417
3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
(6E)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one
CID 12389588
(6Z)-6-(isopropoxymethylene)-2,2-dimethylcyclohexanone
CID 24976596
2,2-Dimethyl-6-{[(propan-2-yl)oxy]methylidene}cyclohexan-1-one
CID 68385161
(6E)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethylidene]cyclohexan-1-one
CID 68385228
(6Z)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethylidene]cyclohexan-1-one
CID 68385230

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone (CID 106829699) is 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone is CC1(C(=O)C2=COCCC2)CCCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone?
The InChIKey is FTFGQPDEXJZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(7-3-2-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106829699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).