lithium 2-prop-2-enoyloxypropanoate

C6H7LiO4 — CID 157433958

IUPAClithium 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C6H8O4.Li/c1-3-5(7)10-4(2)6(8)9;/h3-4H,1H2,2H3,(H,8,9);/q;+1/p-1
InChIKeyBQWJDAFFYHCCOV-UHFFFAOYSA-M
MW150.06 g/mol
LogP-4.14
Rot. Bonds3

About lithium 2-prop-2-enoyloxypropanoate

lithium 2-prop-2-enoyloxypropanoate (PubChem CID 157433958) has the molecular formula C6H7LiO4 and a molecular weight of 150.06 g/mol. Its IUPAC name is lithium 2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namelithium 2-prop-2-enoyloxypropanoate
PubChem CID157433958
Molecular FormulaC6H7LiO4
Molecular Weight150.06 g/mol
Exact Mass150.05
IUPAC Namelithium 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)[O-].[Li+]
InChIInChI=1S/C6H8O4.Li/c1-3-5(7)10-4(2)6(8)9;/h3-4H,1H2,2H3,(H,8,9);/q;+1/p-1
InChIKeyBQWJDAFFYHCCOV-UHFFFAOYSA-M
XLogP-4.14
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.06
LogP ≤ 5-4.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
3,5-dioxohexan-2-yl prop-2-enoate
CID 20532556
(2S)-2-acetyloxypropanoate
CID 40784882
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate
CID 141499219
1-sulfamoylethyl prop-2-enoate
CID 19880963
2-bromoethyl 2-prop-2-enoyloxypropanoate
CID 121344446
(4-cyano-3-oxobutan-2-yl) prop-2-enoate
CID 18702754
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
3,3-dihydroxy-2-methylpropanoic acid;1-hydroxyethyl prop-2-enoate
CID 174945247

Frequently Asked Questions

What is the IUPAC name of lithium 2-prop-2-enoyloxypropanoate?
The IUPAC name of lithium 2-prop-2-enoyloxypropanoate (CID 157433958) is lithium 2-prop-2-enoyloxypropanoate.
What is the SMILES notation for lithium 2-prop-2-enoyloxypropanoate?
The canonical SMILES for lithium 2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)C(=O)[O-].[Li+].
What is the InChIKey of lithium 2-prop-2-enoyloxypropanoate?
The InChIKey is BQWJDAFFYHCCOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O4.Li/c1-3-5(7)10-4(2)6(8)9;/h3-4H,1H2,2H3,(H,8,9);/q;+1/p-1.
What are the key properties of lithium 2-prop-2-enoyloxypropanoate?
lithium 2-prop-2-enoyloxypropanoate has a molecular weight of 150.06 g/mol, XLogP of -4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 157433958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).