potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate

C7H7KO6 — CID 141499219

IUPACpotassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C(=O)[O-])C(=O)OC.[K+]
InChIInChI=1S/C7H8O6.K/c1-3-4(8)13-5(6(9)10)7(11)12-2;/h3,5H,1H2,2H3,(H,9,10);/q;+1/p-1
InChIKeyBJKBSRJYMHFKGM-UHFFFAOYSA-M
MW226.22 g/mol
LogP-4.99
Rot. Bonds4

About potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate

potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate (PubChem CID 141499219) has the molecular formula C7H7KO6 and a molecular weight of 226.22 g/mol. Its IUPAC name is potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namepotassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate
PubChem CID141499219
Molecular FormulaC7H7KO6
Molecular Weight226.22 g/mol
Exact Mass225.99
IUPAC Namepotassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C(=O)[O-])C(=O)OC.[K+]
InChIInChI=1S/C7H8O6.K/c1-3-4(8)13-5(6(9)10)7(11)12-2;/h3,5H,1H2,2H3,(H,9,10);/q;+1/p-1
InChIKeyBJKBSRJYMHFKGM-UHFFFAOYSA-M
XLogP-4.99
TPSA92.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 5-4.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium 2-prop-2-enoyloxypropanoate
CID 157433958
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
hydrogen sulfite;methyl prop-2-enoate
CID 174688508
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
chloroform;methyl prop-2-enoate
CID 123529405
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841
ethoxy-(2-methoxy-2-oxo-1-prop-2-enoyloxyethyl)-oxophosphanium
CID 130464050
dimethyl 2-methoxycarbonyloxypropanedioate
CID 88550478
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
N-methylmethanamine;methyl prop-2-enoate
CID 160519545

Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate?
The IUPAC name of potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate (CID 141499219) is potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate.
What is the SMILES notation for potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate?
The canonical SMILES for potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C(=O)[O-])C(=O)OC.[K+].
What is the InChIKey of potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate?
The InChIKey is BJKBSRJYMHFKGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O6.K/c1-3-4(8)13-5(6(9)10)7(11)12-2;/h3,5H,1H2,2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate?
potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate has a molecular weight of 226.22 g/mol, XLogP of -4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxy-3-oxo-2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 141499219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).