1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane

C11H20O4 — CID 118698927

IUPAC1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane
SMILESC=COCC(COC)(COC)COC=C
InChIInChI=1S/C11H20O4/c1-5-14-9-11(7-12-3,8-13-4)10-15-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyZEGWPTMGJYXVGP-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.59
Rot. Bonds10

About 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane

1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane (PubChem CID 118698927) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane
PubChem CID118698927
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane
SMILESC=COCC(COC)(COC)COC=C
InChIInChI=1S/C11H20O4/c1-5-14-9-11(7-12-3,8-13-4)10-15-6-2/h5-6H,1-2,7-10H2,3-4H3
InChIKeyZEGWPTMGJYXVGP-UHFFFAOYSA-N
XLogP1.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane?
The IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane (CID 118698927) is 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane.
What is the SMILES notation for 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane?
The canonical SMILES for 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane is C=COCC(COC)(COC)COC=C.
What is the InChIKey of 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane?
The InChIKey is ZEGWPTMGJYXVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-14-9-11(7-12-3,8-13-4)10-15-6-2/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane?
1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane has a molecular weight of 216.28 g/mol, XLogP of 1.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-(ethenoxymethyl)-3-methoxy-2-(methoxymethyl)propane is sourced from PubChem (CID 118698927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).