potassium propyl 2-methylprop-2-enoate

C7H11KO2 — CID 140760995

IUPACpotassium propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[CH2-].[K+]
InChIInChI=1S/C7H11O2.K/c1-4-5-9-7(8)6(2)3;/h1-2,4-5H2,3H3;/q-1;+1
InChIKeyOGQKFJAXPCMOOK-UHFFFAOYSA-N
MW166.26 g/mol
LogP-1.67
Rot. Bonds3

About potassium propyl 2-methylprop-2-enoate

potassium propyl 2-methylprop-2-enoate (PubChem CID 140760995) has the molecular formula C7H11KO2 and a molecular weight of 166.26 g/mol. Its IUPAC name is potassium propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepotassium propyl 2-methylprop-2-enoate
PubChem CID140760995
Molecular FormulaC7H11KO2
Molecular Weight166.26 g/mol
Exact Mass166.04
IUPAC Namepotassium propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC[CH2-].[K+]
InChIInChI=1S/C7H11O2.K/c1-4-5-9-7(8)6(2)3;/h1-2,4-5H2,3H3;/q-1;+1
InChIKeyOGQKFJAXPCMOOK-UHFFFAOYSA-N
XLogP-1.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanolate;tris(propyl 2-methylprop-2-enoate);zirconium(4+)
CID 175530971
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
magnesium bis(ethyl 2-methylprop-2-enoate)
CID 174920026
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-aminoethyl 2-methylprop-2-enoate;methane
CID 158487497
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
2-dimethylarsanylethyl 2-methylprop-2-enoate
CID 87191612

Frequently Asked Questions

What is the IUPAC name of potassium propyl 2-methylprop-2-enoate?
The IUPAC name of potassium propyl 2-methylprop-2-enoate (CID 140760995) is potassium propyl 2-methylprop-2-enoate.
What is the SMILES notation for potassium propyl 2-methylprop-2-enoate?
The canonical SMILES for potassium propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC[CH2-].[K+].
What is the InChIKey of potassium propyl 2-methylprop-2-enoate?
The InChIKey is OGQKFJAXPCMOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.K/c1-4-5-9-7(8)6(2)3;/h1-2,4-5H2,3H3;/q-1;+1.
What are the key properties of potassium propyl 2-methylprop-2-enoate?
potassium propyl 2-methylprop-2-enoate has a molecular weight of 166.26 g/mol, XLogP of -1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium propyl 2-methylprop-2-enoate is sourced from PubChem (CID 140760995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).