potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate

C8H11KO5 — CID 174803239

IUPACpotassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
SMILESC=CC(=O)OC(=O)CCC(=O)OC.[H-].[K+]
InChIInChI=1S/C8H10O5.K.H/c1-3-6(9)13-8(11)5-4-7(10)12-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyPGXVNMKQJOENHR-UHFFFAOYSA-N
MW226.27 g/mol
LogP-2.69
Rot. Bonds4

About potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate

potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate (PubChem CID 174803239) has the molecular formula C8H11KO5 and a molecular weight of 226.27 g/mol. Its IUPAC name is potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate.

Molecular Properties

Compound Namepotassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
PubChem CID174803239
Molecular FormulaC8H11KO5
Molecular Weight226.27 g/mol
Exact Mass226.02
IUPAC Namepotassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate
SMILESC=CC(=O)OC(=O)CCC(=O)OC.[H-].[K+]
InChIInChI=1S/C8H10O5.K.H/c1-3-6(9)13-8(11)5-4-7(10)12-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1
InChIKeyPGXVNMKQJOENHR-UHFFFAOYSA-N
XLogP-2.69
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

azane;1-O-methyl 4-O-prop-2-enoyl butanedioate
CID 174803065
sodium;hydride;1-O-methyl 3-O-prop-2-enoyl propanedioate
CID 174802772
diprop-2-enoyl pentanedioate
CID 54164041
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
prop-2-enoyl tetradecanoate
CID 157201572
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
bis(methyl prop-2-enoate);propane
CID 160610529
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
(2-fluoroacetyl) 2-fluoroacetate;methyl prop-2-enoate
CID 162057349
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
butanoyl butanoate;2-methylpropanoyl 2-methylpropanoate;prop-2-enoyl butanoate;prop-2-enoyl 2-methylpropanoate
CID 163420054

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate?
The IUPAC name of potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate (CID 174803239) is potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate.
What is the SMILES notation for potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate?
The canonical SMILES for potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate is C=CC(=O)OC(=O)CCC(=O)OC.[H-].[K+].
What is the InChIKey of potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate?
The InChIKey is PGXVNMKQJOENHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5.K.H/c1-3-6(9)13-8(11)5-4-7(10)12-2;;/h3H,1,4-5H2,2H3;;/q;+1;-1.
What are the key properties of potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate?
potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate has a molecular weight of 226.27 g/mol, XLogP of -2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1-O-methyl 4-O-prop-2-enoyl butanedioate is sourced from PubChem (CID 174803239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).