1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane

C12H20O4 — CID 123361160

IUPAC1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane
SMILESC=COCC(COC)(COC=C)COC=C
InChIInChI=1S/C12H20O4/c1-5-14-9-12(8-13-4,10-15-6-2)11-16-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyCROWPRGXHQMYAF-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.10
Rot. Bonds11

About 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane

1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane (PubChem CID 123361160) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane.

Molecular Properties

Compound Name1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane
PubChem CID123361160
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane
SMILESC=COCC(COC)(COC=C)COC=C
InChIInChI=1S/C12H20O4/c1-5-14-9-12(8-13-4,10-15-6-2)11-16-7-3/h5-7H,1-3,8-11H2,4H3
InChIKeyCROWPRGXHQMYAF-UHFFFAOYSA-N
XLogP2.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane?
The IUPAC name of 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane (CID 123361160) is 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane.
What is the SMILES notation for 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane?
The canonical SMILES for 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane is C=COCC(COC)(COC=C)COC=C.
What is the InChIKey of 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane?
The InChIKey is CROWPRGXHQMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-14-9-12(8-13-4,10-15-6-2)11-16-7-3/h5-7H,1-3,8-11H2,4H3.
What are the key properties of 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane?
1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane has a molecular weight of 228.29 g/mol, XLogP of 2.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,2-bis(ethenoxymethyl)-3-methoxypropane is sourced from PubChem (CID 123361160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).