5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one

C8H14O4 — CID 14071555

IUPAC5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCOCC1(C)COC(=O)OC1
InChIInChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3
InChIKeyQSHCKZWREXDDIX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.20
Rot. Bonds3

About 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one

5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one (PubChem CID 14071555) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
PubChem CID14071555
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
SMILESCCOCC1(C)COC(=O)OC1
InChIInChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3
InChIKeyQSHCKZWREXDDIX-UHFFFAOYSA-N
XLogP1.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The IUPAC name of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one (CID 14071555) is 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one.
What is the SMILES notation for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The canonical SMILES for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one is CCOCC1(C)COC(=O)OC1.
What is the InChIKey of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
The InChIKey is QSHCKZWREXDDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-3-10-4-8(2)5-11-7(9)12-6-8/h3-6H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one?
5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one is sourced from PubChem (CID 14071555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).