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

C13H20O4 — CID 5163842

IUPAC1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane
SMILESC=COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C13H20O4/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4/h5-8H,1-4,9-12H2
InChIKeyXDWRKTULOHXYGN-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.61
Rot. Bonds12

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

1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane (PubChem CID 5163842) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane
PubChem CID5163842
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane
SMILESC=COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C13H20O4/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4/h5-8H,1-4,9-12H2
InChIKeyXDWRKTULOHXYGN-UHFFFAOYSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.61
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 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane?
The IUPAC name of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane (CID 5163842) is 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane.
What is the SMILES notation for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane?
The canonical SMILES for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane is C=COCC(COC=C)(COC=C)COC=C.
What is the InChIKey of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane?
The InChIKey is XDWRKTULOHXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-14-9-13(10-15-6-2,11-16-7-3)12-17-8-4/h5-8H,1-4,9-12H2.
What are the key properties of 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane?
1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane has a molecular weight of 240.30 g/mol, XLogP of 2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)-2,2-bis(ethenoxymethyl)propane is sourced from PubChem (CID 5163842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).