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

C14H22O2 — CID 107187414

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1=COCCC1
InChIInChI=1S/C14H22O2/c1-14(2)8-4-3-7-12(14)13(15)11-6-5-9-16-10-11/h10,12H,3-9H2,1-2H3
InChIKeyYXBPTDLZRKTJGI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107187414) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone
PubChem CID107187414
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1=COCCC1
InChIInChI=1S/C14H22O2/c1-14(2)8-4-3-7-12(14)13(15)11-6-5-9-16-10-11/h10,12H,3-9H2,1-2H3
InChIKeyYXBPTDLZRKTJGI-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-Ethoxyvinyl)-3,3,5,5-tetramethylcyclohexanone
CID 118292
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105127369
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 105127389
6-Methoxy-4a-methyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one
CID 11298498
4-(1-Ethoxyethenyl)-2,2,3,3-tetramethylcyclohexan-1-one
CID 23079630
6-(2-Ethoxyethoxymethylidene)-2,2,3-trimethylcyclohexan-1-one
CID 70458350
4-(1-Ethoxyethenyl)-5-methylidene-3,3-dipropylcyclohexan-1-one
CID 139425402
4-(1-Methoxyethenyl)-3,3,5,5-tetramethylcyclohexan-1-one
CID 142762272
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-2-(10,10-dimethylundecoxymethylidene)-4,4-dimethylcyclohexan-1-one
CID 151511488
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone (CID 107187414) is 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is YXBPTDLZRKTJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2)8-4-3-7-12(14)13(15)11-6-5-9-16-10-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.47, 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-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107187414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).