1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane

C20H36O6 — CID 23539976

IUPAC1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane
SMILESC=COC(C)COCC(C)(COCC(C)OC=C)COCC(C)OC=C
InChIInChI=1S/C20H36O6/c1-8-24-17(4)11-21-14-20(7,15-22-12-18(5)25-9-2)16-23-13-19(6)26-10-3/h8-10,17-19H,1-3,11-16H2,4-7H3
InChIKeyYXHXUFGPXLJTMS-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.69
Rot. Bonds18

About 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane

1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane (PubChem CID 23539976) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane.

Molecular Properties

Compound Name1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane
PubChem CID23539976
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane
SMILESC=COC(C)COCC(C)(COCC(C)OC=C)COCC(C)OC=C
InChIInChI=1S/C20H36O6/c1-8-24-17(4)11-21-14-20(7,15-22-12-18(5)25-9-2)16-23-13-19(6)26-10-3/h8-10,17-19H,1-3,11-16H2,4-7H3
InChIKeyYXHXUFGPXLJTMS-UHFFFAOYSA-N
XLogP3.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane?
The IUPAC name of 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane (CID 23539976) is 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane.
What is the SMILES notation for 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane?
The canonical SMILES for 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane is C=COC(C)COCC(C)(COCC(C)OC=C)COCC(C)OC=C.
What is the InChIKey of 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane?
The InChIKey is YXHXUFGPXLJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O6/c1-8-24-17(4)11-21-14-20(7,15-22-12-18(5)25-9-2)16-23-13-19(6)26-10-3/h8-10,17-19H,1-3,11-16H2,4-7H3.
What are the key properties of 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane?
1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane has a molecular weight of 372.50 g/mol, XLogP of 3.69, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethenoxypropoxy)-2-(2-ethenoxypropoxymethyl)-2-methylpropane is sourced from PubChem (CID 23539976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).