2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol

C13H26O6 — CID 154114559

IUPAC2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
SMILESCCOC(C=COCCOCCOCCO)OCC
InChIInChI=1S/C13H26O6/c1-3-18-13(19-4-2)5-7-15-9-11-17-12-10-16-8-6-14/h5,7,13-14H,3-4,6,8-12H2,1-2H3
InChIKeyKHNPHKUDOQPZCM-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.94
Rot. Bonds14

About 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol (PubChem CID 154114559) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
PubChem CID154114559
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
SMILESCCOC(C=COCCOCCOCCO)OCC
InChIInChI=1S/C13H26O6/c1-3-18-13(19-4-2)5-7-15-9-11-17-12-10-16-8-6-14/h5,7,13-14H,3-4,6,8-12H2,1-2H3
InChIKeyKHNPHKUDOQPZCM-UHFFFAOYSA-N
XLogP0.94
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol (CID 154114559) is 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol is CCOC(C=COCCOCCOCCO)OCC.
What is the InChIKey of 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The InChIKey is KHNPHKUDOQPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-3-18-13(19-4-2)5-7-15-9-11-17-12-10-16-8-6-14/h5,7,13-14H,3-4,6,8-12H2,1-2H3.
What are the key properties of 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol has a molecular weight of 278.34 g/mol, XLogP of 0.94, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,3-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 154114559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).