(E)-1-ethoxyprop-1-en-1-olate

C5H9O2- — CID 134611716

IUPAC(E)-1-ethoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OCC
InChIInChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3,6H,4H2,1-2H3/p-1/b5-3+
InChIKeyWGBFLZOXVAWDBG-HWKANZROSA-M
MW101.12 g/mol
LogP0.24
Rot. Bonds2

About (E)-1-ethoxyprop-1-en-1-olate

(E)-1-ethoxyprop-1-en-1-olate (PubChem CID 134611716) has the molecular formula C5H9O2- and a molecular weight of 101.12 g/mol. Its IUPAC name is (E)-1-ethoxyprop-1-en-1-olate.

Molecular Properties

Compound Name(E)-1-ethoxyprop-1-en-1-olate
PubChem CID134611716
Molecular FormulaC5H9O2-
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(E)-1-ethoxyprop-1-en-1-olate
SMILESC/C=C(\[O-])OCC
InChIInChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3,6H,4H2,1-2H3/p-1/b5-3+
InChIKeyWGBFLZOXVAWDBG-HWKANZROSA-M
XLogP0.24
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propene, 1,1-diethoxy-
CID 140841
1-Propene, 1,1-dimethoxy-
CID 11768513
Dimethyl(E)-1-propenyl orthoacetate
CID 5463432
1-Ethoxy-2-methylprop-1-en-1-olate
CID 17775255
CID 59071496
CID 59071496
CID 59601808
CID 59601808
(1E)-1-ethoxybuta-1,3-diene-1,3-diolate
CID 60122197
Divinyloxypropene
CID 129742392
1,1-bis[(1R)-1-fluoroethoxy]prop-1-ene
CID 89616973
lithium (Z)-1-ethoxyprop-1-en-1-olate
CID 11332428
lithium (E)-1-ethoxyprop-1-en-1-olate
CID 23667186
[(Z)-1-ethoxyprop-1-enoxy]borane
CID 134903703

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxyprop-1-en-1-olate?
The IUPAC name of (E)-1-ethoxyprop-1-en-1-olate (CID 134611716) is (E)-1-ethoxyprop-1-en-1-olate.
What is the SMILES notation for (E)-1-ethoxyprop-1-en-1-olate?
The canonical SMILES for (E)-1-ethoxyprop-1-en-1-olate is C/C=C(\[O-])OCC.
What is the InChIKey of (E)-1-ethoxyprop-1-en-1-olate?
The InChIKey is WGBFLZOXVAWDBG-HWKANZROSA-M. The full InChI is InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3,6H,4H2,1-2H3/p-1/b5-3+.
What are the key properties of (E)-1-ethoxyprop-1-en-1-olate?
(E)-1-ethoxyprop-1-en-1-olate has a molecular weight of 101.12 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxyprop-1-en-1-olate is sourced from PubChem (CID 134611716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).