1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane

C20H38O4 — CID 158783507

IUPAC1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane
SMILESC=COCC(C)OCC(C)OC=C.C=COCC(CC)CCCC
InChIInChI=1S/C10H18O3.C10H20O/c1-5-11-7-9(3)13-8-10(4)12-6-2;1-4-7-8-10(5-2)9-11-6-3/h5-6,9-10H,1-2,7-8H2,3-4H3;6,10H,3-5,7-9H2,1-2H3
InChIKeyIRJOPEZDWARTEL-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.46
Rot. Bonds15

About 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane

1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane (PubChem CID 158783507) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane.

Molecular Properties

Compound Name1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane
PubChem CID158783507
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane
SMILESC=COCC(C)OCC(C)OC=C.C=COCC(CC)CCCC
InChIInChI=1S/C10H18O3.C10H20O/c1-5-11-7-9(3)13-8-10(4)12-6-2;1-4-7-8-10(5-2)9-11-6-3/h5-6,9-10H,1-2,7-8H2,3-4H3;6,10H,3-5,7-9H2,1-2H3
InChIKeyIRJOPEZDWARTEL-UHFFFAOYSA-N
XLogP5.46
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.46
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-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane?
The IUPAC name of 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane (CID 158783507) is 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane.
What is the SMILES notation for 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane?
The canonical SMILES for 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane is C=COCC(C)OCC(C)OC=C.C=COCC(CC)CCCC.
What is the InChIKey of 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane?
The InChIKey is IRJOPEZDWARTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3.C10H20O/c1-5-11-7-9(3)13-8-10(4)12-6-2;1-4-7-8-10(5-2)9-11-6-3/h5-6,9-10H,1-2,7-8H2,3-4H3;6,10H,3-5,7-9H2,1-2H3.
What are the key properties of 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane?
1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane has a molecular weight of 342.52 g/mol, XLogP of 5.46, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-(2-ethenoxypropoxy)propane;3-(ethenoxymethyl)heptane is sourced from PubChem (CID 158783507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).