5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C20H26O4 — CID 11163325

IUPAC5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCc1cc(C)cc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1
InChIInChI=1S/C20H26O4/c1-13-10-14(2)12-15(11-13)20(8-6-5-7-9-20)16-17(21)23-19(3,4)24-18(16)22/h10-12,16H,5-9H2,1-4H3
InChIKeyHPUWGUATMPHPHF-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.96
Rot. Bonds2

About 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 11163325) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID11163325
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCc1cc(C)cc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1
InChIInChI=1S/C20H26O4/c1-13-10-14(2)12-15(11-13)20(8-6-5-7-9-20)16-17(21)23-19(3,4)24-18(16)22/h10-12,16H,5-9H2,1-4H3
InChIKeyHPUWGUATMPHPHF-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione 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

5,5-Dibenzyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 380818
2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
CID 84848
5-Benzyl-2,2-dimethyl-5-(4-vinylbenzyl)-1,3-dioxane-4,6-dione
CID 44543508
Diethyl dibenzylpropanedioate
CID 222519
(e)-Dimethyl 2-(1,3-diphenylallyl)malonate
CID 10087616
dimethyl (R,E)-2-(1,3-diphenylallyl)malonate
CID 11141880
5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-1-phenyl-
CID 11184166
Diethyl (2-phenylpropan-2-yl)propanedioate
CID 298884
Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 5291879
5-[2-(2-Fluorophenyl)propan-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 25212921
5-[1-(2-Fluorophenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 25213164
5,5-Bis[(3-methylphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 1271068

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 11163325) is 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is Cc1cc(C)cc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1.
What is the InChIKey of 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is HPUWGUATMPHPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-13-10-14(2)12-15(11-13)20(8-6-5-7-9-20)16-17(21)23-19(3,4)24-18(16)22/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 330.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethylphenyl)cyclohexyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 11163325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).