2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene

C13H26O5 — CID 22491591

IUPAC2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
SMILESC=C(C)OC(COCCOCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-6-14-9-10-15-11-13(16-7-2,17-8-3)18-12(4)5/h4,6-11H2,1-3,5H3
InChIKeyMCWWLOGYEKLZJT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.32
Rot. Bonds12

About 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene

2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene (PubChem CID 22491591) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
PubChem CID22491591
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene
SMILESC=C(C)OC(COCCOCC)(OCC)OCC
InChIInChI=1S/C13H26O5/c1-6-14-9-10-15-11-13(16-7-2,17-8-3)18-12(4)5/h4,6-11H2,1-3,5H3
InChIKeyMCWWLOGYEKLZJT-UHFFFAOYSA-N
XLogP2.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The IUPAC name of 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene (CID 22491591) is 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene is C=C(C)OC(COCCOCC)(OCC)OCC.
What is the InChIKey of 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
The InChIKey is MCWWLOGYEKLZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-6-14-9-10-15-11-13(16-7-2,17-8-3)18-12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene?
2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene has a molecular weight of 262.35 g/mol, XLogP of 2.32, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-diethoxy-2-(2-ethoxyethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 22491591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).