2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene

C13H26O5 — CID 91268016

IUPAC2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(OCC)C(OCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-7-14-12(18-11(5)6)13(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3
InChIKeyNYYCGSYITGOIQE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.66
Rot. Bonds11

About 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene

2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene (PubChem CID 91268016) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene
PubChem CID91268016
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(OCC)C(OCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-7-14-12(18-11(5)6)13(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3
InChIKeyNYYCGSYITGOIQE-UHFFFAOYSA-N
XLogP2.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene?
The IUPAC name of 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene (CID 91268016) is 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene.
What is the SMILES notation for 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene?
The canonical SMILES for 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene is C=C(C)OC(OCC)C(OCC)(OCC)OCC.
What is the InChIKey of 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene?
The InChIKey is NYYCGSYITGOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-7-14-12(18-11(5)6)13(15-8-2,16-9-3)17-10-4/h12H,5,7-10H2,1-4,6H3.
What are the key properties of 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene?
2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene has a molecular weight of 262.35 g/mol, XLogP of 2.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,2-tetraethoxyethoxy)prop-1-ene is sourced from PubChem (CID 91268016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).