1-ethenoxy-2,3-diethoxypropane

C9H18O3 — CID 151268841

IUPAC1-ethenoxy-2,3-diethoxypropane
SMILESC=COCC(COCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-7-9(12-6-3)8-11-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyNVXNPOREWXUAFR-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.59
Rot. Bonds8

About 1-ethenoxy-2,3-diethoxypropane

1-ethenoxy-2,3-diethoxypropane (PubChem CID 151268841) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-ethenoxy-2,3-diethoxypropane.

Molecular Properties

Compound Name1-ethenoxy-2,3-diethoxypropane
PubChem CID151268841
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-ethenoxy-2,3-diethoxypropane
SMILESC=COCC(COCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-7-9(12-6-3)8-11-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyNVXNPOREWXUAFR-UHFFFAOYSA-N
XLogP1.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butoxy-2-vinyloxy ethane
CID 20207
Diethylene glycol ethyl vinyl ether
CID 25008
1,2,3-Triethoxypropane
CID 548321
Oxirane, [[2-[2-(ethenyloxy)ethoxy]ethoxy]methyl]-
CID 11332926
17,18-Epoxy-3,6,9,12,15-pentaoxa-1-octadecene
CID 15527223
2-[(Z)-2-propan-2-yloxyethenoxy]propane
CID 102121609
1,2,3-Tris(ethenyloxy)propane
CID 13516599
1-{2-[2-(2-Vinyloxyethoxy)ethoxy]-ethoxy}-2,3-epoxypropane
CID 15527222
1,2-Bis(ethenyloxy)propane
CID 15570361
4-Methyl-3,6-dioxaoct-7-ene
CID 17934856
1-Ethenoxy-1-fluoro-2-propoxypropane
CID 88059157
1-Ethenoxy-3-fluoro-2-propoxypropane
CID 88059158

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,3-diethoxypropane?
The IUPAC name of 1-ethenoxy-2,3-diethoxypropane (CID 151268841) is 1-ethenoxy-2,3-diethoxypropane.
What is the SMILES notation for 1-ethenoxy-2,3-diethoxypropane?
The canonical SMILES for 1-ethenoxy-2,3-diethoxypropane is C=COCC(COCC)OCC.
What is the InChIKey of 1-ethenoxy-2,3-diethoxypropane?
The InChIKey is NVXNPOREWXUAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-10-7-9(12-6-3)8-11-5-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-ethenoxy-2,3-diethoxypropane?
1-ethenoxy-2,3-diethoxypropane has a molecular weight of 174.24 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,3-diethoxypropane is sourced from PubChem (CID 151268841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).