1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one

C8H14O3 — CID 175532850

IUPAC1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCC(=O)C1(C)OCC(C)O1
InChIInChI=1S/C8H14O3/c1-4-7(9)8(3)10-5-6(2)11-8/h6H,4-5H2,1-3H3
InChIKeyWKPKKYAVGLKFMT-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one

1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one (PubChem CID 175532850) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one
PubChem CID175532850
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCCC(=O)C1(C)OCC(C)O1
InChIInChI=1S/C8H14O3/c1-4-7(9)8(3)10-5-6(2)11-8/h6H,4-5H2,1-3H3
InChIKeyWKPKKYAVGLKFMT-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-1,3-dioxolane-2-carboxylic acid;hydrofluoride
CID 146547924
2-but-2-en-2-yl-2,4-dimethyl-1,3-dioxolane
CID 69112241
2-(2,4-dimethyl-1,3-dioxolan-2-yl)acetohydrazide
CID 4203891
ethyl 4-(2-ethoxycarbonyl-2-methyl-1,3-dioxolan-4-yl)-2-methyl-1,3-dioxolane-2-carboxylate
CID 70875273
6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid
CID 174901401
acetic acid;methanol;2,6,8-trimethyl-7,10-dioxadispiro[2.0.24.43]decane
CID 67270857
1-(2,4-dimethyl-1,3-dioxolan-2-yl)propane-1-thiol
CID 147288645
(2S)-2,4-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 155082762
butanedioic acid;2-methyloxirane
CID 87390185
sulfamoyl chloride;2,2,4-trimethyl-1,3-dioxolane
CID 87571306
8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 67379021
1-(1-propanoylcyclopropyl)propan-1-one
CID 5243904

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one (CID 175532850) is 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one is CCC(=O)C1(C)OCC(C)O1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one?
The InChIKey is WKPKKYAVGLKFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-7(9)8(3)10-5-6(2)11-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one?
1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one has a molecular weight of 158.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-dioxolan-2-yl)propan-1-one is sourced from PubChem (CID 175532850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).