2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one

C11H16O4 — CID 11206618

IUPAC2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one
SMILESCC(C)C(=O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H16O4/c1-7(2)9(12)5-8-6-10(13)15-11(3,4)14-8/h6-7H,5H2,1-4H3
InChIKeyGPYRYZXNYYCUMD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.79
Rot. Bonds3

About 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one

2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one (PubChem CID 11206618) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one
PubChem CID11206618
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one
SMILESCC(C)C(=O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H16O4/c1-7(2)9(12)5-8-6-10(13)15-11(3,4)14-8/h6-7H,5H2,1-4H3
InChIKeyGPYRYZXNYYCUMD-UHFFFAOYSA-N
XLogP1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-6-(2-oxopropyl)-2,4-dihydro-1,3-dioxin-4-one
CID 14638420
6-(3,3-Dimethyl-2-oxobutyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 11264626
2,2-Dimethyl-6-(4-methyl-2-oxopentyl)-1,3-dioxin-4-one
CID 71533903
2,2-Dimethyl-6-(3-oxobutan-2-yl)-1,3-dioxin-4-one
CID 134846449
2,2,5-trimethyl-6-[(2S)-2-methylbut-3-enyl]-1,3-dioxin-4-one
CID 134966507
2,2-Dimethyl-6-(3-oxobutyl)-4H-1,3-dioxin-4-one
CID 14638423
6-(2-Cyclopropyl-2-oxoethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 59756036
2,3-Dimethylbutan-2-yl 3-methoxy-5-oxohept-2-enoate
CID 91171427
2,2-Dimethyl-6-(3-methylbutyl)-1,3-dioxin-4-one
CID 139754293
2,2-dimethyl-6-[(E)-2-oxopent-3-enyl]-1,3-dioxin-4-one
CID 156810654
2,2-Dimethyl-6-(2-oxopentyl)-1,3-dioxin-4-one
CID 156810655
2,2-Dimethyl-6-(2-methylpropyl)-1,3-dioxin-4-one
CID 176209484

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one?
The IUPAC name of 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one (CID 11206618) is 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one?
The canonical SMILES for 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one is CC(C)C(=O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one?
The InChIKey is GPYRYZXNYYCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)9(12)5-8-6-10(13)15-11(3,4)14-8/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one?
2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one has a molecular weight of 212.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one is sourced from PubChem (CID 11206618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).