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

C19H24O4 — CID 11461239

IUPAC2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione
SMILESCc1cccc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1
InChIInChI=1S/C19H24O4/c1-13-8-7-9-14(12-13)19(10-5-4-6-11-19)15-16(20)22-18(2,3)23-17(15)21/h7-9,12,15H,4-6,10-11H2,1-3H3
InChIKeyJUCHVYUNHPAVEP-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.65
Rot. Bonds2

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

2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione (PubChem CID 11461239) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione
PubChem CID11461239
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione
SMILESCc1cccc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1
InChIInChI=1S/C19H24O4/c1-13-8-7-9-14(12-13)19(10-5-4-6-11-19)15-16(20)22-18(2,3)23-17(15)21/h7-9,12,15H,4-6,10-11H2,1-3H3
InChIKeyJUCHVYUNHPAVEP-UHFFFAOYSA-N
XLogP3.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

Ethyl 2,2-dibenzyl-3-oxobutanoate
CID 521112
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
Diethyl 2-(1-phenylpropyl)malonate
CID 304579
5-Benzyl-2,2-dimethyl-5-(4-vinylbenzyl)-1,3-dioxane-4,6-dione
CID 44543508
ethyl (E)-2-acetyl-2-fluoro-3,5-bis(3-methylphenyl)pent-4-enoate
CID 132489157
Diethyl diphenylmalonate
CID 231689
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
Ethyl 2-benzhydryl-3-oxobutanoate
CID 11580226

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione (CID 11461239) is 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione is Cc1cccc(C2(C3C(=O)OC(C)(C)OC3=O)CCCCC2)c1.
What is the InChIKey of 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione?
The InChIKey is JUCHVYUNHPAVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O4/c1-13-8-7-9-14(12-13)19(10-5-4-6-11-19)15-16(20)22-18(2,3)23-17(15)21/h7-9,12,15H,4-6,10-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione has a molecular weight of 316.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[1-(3-methylphenyl)cyclohexyl]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 11461239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).