5-ethyl-4-methyl-1,3-dioxan-2-one

C7H12O3 — CID 14150825

IUPAC5-ethyl-4-methyl-1,3-dioxan-2-one
SMILESCCC1COC(=O)OC1C
InChIInChI=1S/C7H12O3/c1-3-6-4-9-7(8)10-5(6)2/h5-6H,3-4H2,1-2H3
InChIKeyCWWGPXNUCMADLS-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.57
Rot. Bonds1

About 5-ethyl-4-methyl-1,3-dioxan-2-one

5-ethyl-4-methyl-1,3-dioxan-2-one (PubChem CID 14150825) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-ethyl-4-methyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-1,3-dioxan-2-one
PubChem CID14150825
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name5-ethyl-4-methyl-1,3-dioxan-2-one
SMILESCCC1COC(=O)OC1C
InChIInChI=1S/C7H12O3/c1-3-6-4-9-7(8)10-5(6)2/h5-6H,3-4H2,1-2H3
InChIKeyCWWGPXNUCMADLS-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-1,3-dioxan-2-one?
The IUPAC name of 5-ethyl-4-methyl-1,3-dioxan-2-one (CID 14150825) is 5-ethyl-4-methyl-1,3-dioxan-2-one.
What is the SMILES notation for 5-ethyl-4-methyl-1,3-dioxan-2-one?
The canonical SMILES for 5-ethyl-4-methyl-1,3-dioxan-2-one is CCC1COC(=O)OC1C.
What is the InChIKey of 5-ethyl-4-methyl-1,3-dioxan-2-one?
The InChIKey is CWWGPXNUCMADLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-6-4-9-7(8)10-5(6)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-4-methyl-1,3-dioxan-2-one?
5-ethyl-4-methyl-1,3-dioxan-2-one has a molecular weight of 144.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-1,3-dioxan-2-one is sourced from PubChem (CID 14150825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).