1-ethoxy-2-prop-2-enoxyethanol

C7H14O3 — CID 87488342

IUPAC1-ethoxy-2-prop-2-enoxyethanol
SMILESC=CCOCC(O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-9-6-7(8)10-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyLYCVWZVJSLDSSA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds6

About 1-ethoxy-2-prop-2-enoxyethanol

1-ethoxy-2-prop-2-enoxyethanol (PubChem CID 87488342) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-ethoxy-2-prop-2-enoxyethanol.

Molecular Properties

Compound Name1-ethoxy-2-prop-2-enoxyethanol
PubChem CID87488342
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-ethoxy-2-prop-2-enoxyethanol
SMILESC=CCOCC(O)OCC
InChIInChI=1S/C7H14O3/c1-3-5-9-6-7(8)10-4-2/h3,7-8H,1,4-6H2,2H3
InChIKeyLYCVWZVJSLDSSA-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-prop-2-enoxyethanol?
The IUPAC name of 1-ethoxy-2-prop-2-enoxyethanol (CID 87488342) is 1-ethoxy-2-prop-2-enoxyethanol.
What is the SMILES notation for 1-ethoxy-2-prop-2-enoxyethanol?
The canonical SMILES for 1-ethoxy-2-prop-2-enoxyethanol is C=CCOCC(O)OCC.
What is the InChIKey of 1-ethoxy-2-prop-2-enoxyethanol?
The InChIKey is LYCVWZVJSLDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-5-9-6-7(8)10-4-2/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 1-ethoxy-2-prop-2-enoxyethanol?
1-ethoxy-2-prop-2-enoxyethanol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-prop-2-enoxyethanol is sourced from PubChem (CID 87488342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).