6-methyl-2-propan-2-yl-1,3-dioxin-4-one

C8H12O3 — CID 118688797

IUPAC6-methyl-2-propan-2-yl-1,3-dioxin-4-one
SMILESCC1=CC(=O)OC(C(C)C)O1
InChIInChI=1S/C8H12O3/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5,8H,1-3H3
InChIKeyGTKIYIQYDXZPPD-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.45
Rot. Bonds1

About 6-methyl-2-propan-2-yl-1,3-dioxin-4-one

6-methyl-2-propan-2-yl-1,3-dioxin-4-one (PubChem CID 118688797) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,3-dioxin-4-one
PubChem CID118688797
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name6-methyl-2-propan-2-yl-1,3-dioxin-4-one
SMILESCC1=CC(=O)OC(C(C)C)O1
InChIInChI=1S/C8H12O3/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5,8H,1-3H3
InChIKeyGTKIYIQYDXZPPD-UHFFFAOYSA-N
XLogP1.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-propan-2-yl-1,3-dioxin-4-one 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

2-ethyl-2,6-dimethyl-4H-1,3-dioxin-4-one
CID 10534915
2-(1,1-Dimethylethyl)-6-methyl-4H-1,3-dioxin-4-one
CID 558963
(R)-2-tert-Butyl-6-methyl-1,3-dioxin-4-one
CID 13617605
2,5,6-Trimethyl-1,3-dioxin-4-one
CID 21602578
tert-butyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121015288
ethyl (Z)-3-(methoxymethoxy)but-2-enoate
CID 134937263
ethyl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 162414684
(2S)-2,5,6-trimethyl-1,3-dioxin-4-one
CID 642505
Nppupqlousnhfr-uhfffaoysa-
CID 21576603
2,6-Dimethyl-1,3-dioxin-4-one
CID 13380493
6-Methyl-4-(2-methylpropoxy)pyran-2-one
CID 17888438
(2,6-dimethyl-4H-1,3-dioxin-4-yl) acetate
CID 18522463

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,3-dioxin-4-one?
The IUPAC name of 6-methyl-2-propan-2-yl-1,3-dioxin-4-one (CID 118688797) is 6-methyl-2-propan-2-yl-1,3-dioxin-4-one.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,3-dioxin-4-one?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,3-dioxin-4-one is CC1=CC(=O)OC(C(C)C)O1.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,3-dioxin-4-one?
The InChIKey is GTKIYIQYDXZPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)8-10-6(3)4-7(9)11-8/h4-5,8H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-1,3-dioxin-4-one?
6-methyl-2-propan-2-yl-1,3-dioxin-4-one has a molecular weight of 156.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,3-dioxin-4-one is sourced from PubChem (CID 118688797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).