1-(1,2,2-tripropoxyethenoxy)propane

C14H28O4 — CID 12561622

IUPAC1-(1,2,2-tripropoxyethenoxy)propane
SMILESCCCOC(OCCC)=C(OCCC)OCCC
InChIInChI=1S/C14H28O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3
InChIKeyXGIIICLXVSXORA-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.82
Rot. Bonds12

About 1-(1,2,2-tripropoxyethenoxy)propane

1-(1,2,2-tripropoxyethenoxy)propane (PubChem CID 12561622) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 1-(1,2,2-tripropoxyethenoxy)propane.

Molecular Properties

Compound Name1-(1,2,2-tripropoxyethenoxy)propane
PubChem CID12561622
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name1-(1,2,2-tripropoxyethenoxy)propane
SMILESCCCOC(OCCC)=C(OCCC)OCCC
InChIInChI=1S/C14H28O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3
InChIKeyXGIIICLXVSXORA-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.82
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-(1,2,2-tripropoxyethenoxy)propane?
The IUPAC name of 1-(1,2,2-tripropoxyethenoxy)propane (CID 12561622) is 1-(1,2,2-tripropoxyethenoxy)propane.
What is the SMILES notation for 1-(1,2,2-tripropoxyethenoxy)propane?
The canonical SMILES for 1-(1,2,2-tripropoxyethenoxy)propane is CCCOC(OCCC)=C(OCCC)OCCC.
What is the InChIKey of 1-(1,2,2-tripropoxyethenoxy)propane?
The InChIKey is XGIIICLXVSXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-5-9-15-13(16-10-6-2)14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3.
What are the key properties of 1-(1,2,2-tripropoxyethenoxy)propane?
1-(1,2,2-tripropoxyethenoxy)propane has a molecular weight of 260.37 g/mol, XLogP of 3.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-tripropoxyethenoxy)propane is sourced from PubChem (CID 12561622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).