3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone

C14H22O2 — CID 102646906

IUPAC3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone
SMILESCC1(C)CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22O2/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11H,3-4,6-10H2,1-2H3
InChIKeyYYRJUNASTIIKCL-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone

3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone (PubChem CID 102646906) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone
PubChem CID102646906
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone
SMILESCC1(C)CCC(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C14H22O2/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11H,3-4,6-10H2,1-2H3
InChIKeyYYRJUNASTIIKCL-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

Analyze 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-1,4-dione
CID 10613356
(1S,9R,10R,15S)-4-ethoxy-9,14,15-trimethyl-17-methylidenetetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),4,13-triene-3,6-dione
CID 56964572
(1R,9S,10R,15S)-4-ethoxy-9,14,15-trimethyl-17-methylidenetetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),4,13-triene-3,6-dione
CID 101560574
1-(2-Acetyl-4-cyclohexyl-2-fluoro-3,4-dihydropyran-6-yl)ethanone
CID 118351383
3-Ethoxyspiro[3.5]non-2-en-1-one
CID 24974468
7-(1,1-Dimethylethyl)-3-ethoxy-spiro[3.5]non-2-EN-1-one
CID 73014221
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
CID 134933024
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
9-ethoxy-3,3a,6,6a-tetramethyl-4,5,6,7,11b,11c-hexahydro-1H-benzo[a]phenalene-8,11-dione
CID 162414266
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 102648650

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone (CID 102646906) is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone is CC1(C)CCC(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone?
The InChIKey is YYRJUNASTIIKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11H,3-4,6-10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4,4-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-6-yl-(4,4-dimethylcyclohexyl)methanone is sourced from PubChem (CID 102646906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).