2-ethoxy-2-methyl-1,3-dioxan-5-one

C7H12O4 — CID 25205700

IUPAC2-ethoxy-2-methyl-1,3-dioxan-5-one
SMILESCCOC1(C)OCC(=O)CO1
InChIInChI=1S/C7H12O4/c1-3-9-7(2)10-4-6(8)5-11-7/h3-5H2,1-2H3
InChIKeyHPPLHRMFZPDKNK-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.31
Rot. Bonds2

About 2-ethoxy-2-methyl-1,3-dioxan-5-one

2-ethoxy-2-methyl-1,3-dioxan-5-one (PubChem CID 25205700) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1,3-dioxan-5-one
PubChem CID25205700
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-ethoxy-2-methyl-1,3-dioxan-5-one
SMILESCCOC1(C)OCC(=O)CO1
InChIInChI=1S/C7H12O4/c1-3-9-7(2)10-4-6(8)5-11-7/h3-5H2,1-2H3
InChIKeyHPPLHRMFZPDKNK-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-5-isocyano-2-methyl-1,3-dioxan-5-yl)ethanone
CID 59637443
4-ethoxy-4-methylazetidin-2-one
CID 141017453
2-[2-(dimethylamino)ethoxy]-2-tridecyl-1,3-dioxan-5-one
CID 68852721
(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
CID 45093859
2-heptadecyl-2-propan-2-yloxy-1,3-dioxan-5-one
CID 68968818
(4aR,7aR)-4a-ethoxy-2,2-dimethyl-7,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-6-one
CID 11106764
3-hexadecoxy-3-hydroxy-4,4-dimethyloxolan-2-one
CID 67238185
ethene;2-ethoxy-2-methyloxane
CID 162017972
3,3,4,4,5,5,6,6-octamethylcyclohexane-1,2-dione
CID 90110323
2-ethoxy-2-ethyloxirane
CID 87059736
1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde
CID 130591101
4-(3-ethoxy-3-methylazetidin-1-yl)cyclohexan-1-one
CID 130826077

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1,3-dioxan-5-one?
The IUPAC name of 2-ethoxy-2-methyl-1,3-dioxan-5-one (CID 25205700) is 2-ethoxy-2-methyl-1,3-dioxan-5-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1,3-dioxan-5-one?
The canonical SMILES for 2-ethoxy-2-methyl-1,3-dioxan-5-one is CCOC1(C)OCC(=O)CO1.
What is the InChIKey of 2-ethoxy-2-methyl-1,3-dioxan-5-one?
The InChIKey is HPPLHRMFZPDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-9-7(2)10-4-6(8)5-11-7/h3-5H2,1-2H3.
What are the key properties of 2-ethoxy-2-methyl-1,3-dioxan-5-one?
2-ethoxy-2-methyl-1,3-dioxan-5-one has a molecular weight of 160.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1,3-dioxan-5-one is sourced from PubChem (CID 25205700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).