1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane

C12H24O5 — CID 123926187

IUPAC1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane
SMILESC=COC(COCCOCC)(OCC)OCC
InChIInChI=1S/C12H24O5/c1-5-13-9-10-14-11-12(15-6-2,16-7-3)17-8-4/h6H,2,5,7-11H2,1,3-4H3
InChIKeyPROKYDAGFPYJOV-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.93
Rot. Bonds12

About 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane

1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane (PubChem CID 123926187) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane.

Molecular Properties

Compound Name1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane
PubChem CID123926187
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane
SMILESC=COC(COCCOCC)(OCC)OCC
InChIInChI=1S/C12H24O5/c1-5-13-9-10-14-11-12(15-6-2,16-7-3)17-8-4/h6H,2,5,7-11H2,1,3-4H3
InChIKeyPROKYDAGFPYJOV-UHFFFAOYSA-N
XLogP1.93
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.93
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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Related Compounds

2-ethenoxy-1,2-diethoxypropane
CID 173023093
1-(2,2,2-triethoxyethoxy)propane
CID 10751414
1-[2-(2,2,2-triethoxyethoxy)ethoxy]butane
CID 150976644
1,2-diethoxyethane;ethenamine
CID 160675526
1-ethenoxy-2-ethoxyethane
CID 14510945
1,2-diethoxyethane;ethene
CID 158825770
2-(2,2-diethoxy-2-methoxyethoxy)ethanol
CID 173193032
CID 54538570
CID 54538570
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethoxy-1-(2-ethoxyethoxy)-2-methylpropane;2-(2-hydroxyethoxy)ethanol
CID 161457793
ethane-1,2-diol;2-(2-ethoxyethoxy)ethanol;prop-1-ene
CID 87402389
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane?
The IUPAC name of 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane (CID 123926187) is 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane.
What is the SMILES notation for 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane?
The canonical SMILES for 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane is C=COC(COCCOCC)(OCC)OCC.
What is the InChIKey of 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane?
The InChIKey is PROKYDAGFPYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-5-13-9-10-14-11-12(15-6-2,16-7-3)17-8-4/h6H,2,5,7-11H2,1,3-4H3.
What are the key properties of 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane?
1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane has a molecular weight of 248.32 g/mol, XLogP of 1.93, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1-diethoxy-2-(2-ethoxyethoxy)ethane is sourced from PubChem (CID 123926187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).