2-prop-2-enoxyacetate

C5H7O3- — CID 19028340

IUPAC2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)[O-]
InChIInChI=1S/C5H8O3/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)/p-1
InChIKeyQXWUJRONCAPLLL-UHFFFAOYSA-M
MW115.11 g/mol
LogP-1.06
Rot. Bonds4

About 2-prop-2-enoxyacetate

2-prop-2-enoxyacetate (PubChem CID 19028340) has the molecular formula C5H7O3- and a molecular weight of 115.11 g/mol. Its IUPAC name is 2-prop-2-enoxyacetate.

Molecular Properties

Compound Name2-prop-2-enoxyacetate
PubChem CID19028340
Molecular FormulaC5H7O3-
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name2-prop-2-enoxyacetate
SMILESC=CCOCC(=O)[O-]
InChIInChI=1S/C5H8O3/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)/p-1
InChIKeyQXWUJRONCAPLLL-UHFFFAOYSA-M
XLogP-1.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
CID 87667724
methyl 2-(prop-2-enoxymethyl)but-2-enoate
CID 156786172
lithium 2-ethenoxyacetate
CID 172773108
(3S,4S)-3,4,5-trihydroxy-1-prop-2-enoxypentan-2-one
CID 54142770
(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
CID 102121537
carbon monoxide;2-(carboxylatomethoxy)acetate;ruthenium(2+)
CID 10448493
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
N-oxo-2-(prop-2-enoxymethyl)prop-2-enamide
CID 163423904
3,4,5,6-tetrahydroxy-1-prop-2-enoxyhexan-2-one
CID 13054444
2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyacetate?
The IUPAC name of 2-prop-2-enoxyacetate (CID 19028340) is 2-prop-2-enoxyacetate.
What is the SMILES notation for 2-prop-2-enoxyacetate?
The canonical SMILES for 2-prop-2-enoxyacetate is C=CCOCC(=O)[O-].
What is the InChIKey of 2-prop-2-enoxyacetate?
The InChIKey is QXWUJRONCAPLLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O3/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)/p-1.
What are the key properties of 2-prop-2-enoxyacetate?
2-prop-2-enoxyacetate has a molecular weight of 115.11 g/mol, XLogP of -1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyacetate is sourced from PubChem (CID 19028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).