potassium;tert-butyl prop-2-enoate;hydride

C7H13KO2 — CID 174867410

IUPACpotassium;tert-butyl prop-2-enoate;hydride
SMILESC=CC(=O)OC(C)(C)C.[H-].[K+]
InChIInChI=1S/C7H12O2.K.H/c1-5-6(8)9-7(2,3)4;;/h5H,1H2,2-4H3;;/q;+1;-1
InChIKeySGYCEZIVRIKMFM-UHFFFAOYSA-N
MW168.28 g/mol
LogP-1.37
Rot. Bonds1

About potassium;tert-butyl prop-2-enoate;hydride

potassium;tert-butyl prop-2-enoate;hydride (PubChem CID 174867410) has the molecular formula C7H13KO2 and a molecular weight of 168.28 g/mol. Its IUPAC name is potassium;tert-butyl prop-2-enoate;hydride.

Molecular Properties

Compound Namepotassium;tert-butyl prop-2-enoate;hydride
PubChem CID174867410
Molecular FormulaC7H13KO2
Molecular Weight168.28 g/mol
Exact Mass168.06
IUPAC Namepotassium;tert-butyl prop-2-enoate;hydride
SMILESC=CC(=O)OC(C)(C)C.[H-].[K+]
InChIInChI=1S/C7H12O2.K.H/c1-5-6(8)9-7(2,3)4;;/h5H,1H2,2-4H3;;/q;+1;-1
InChIKeySGYCEZIVRIKMFM-UHFFFAOYSA-N
XLogP-1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 5-1.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;methanol
CID 174833528
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
tert-butyl prop-2-enoate;methyl prop-2-enoate
CID 174394001
tert-butyl prop-2-enoate;palladium;sulfuric acid
CID 174893480
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
tert-butyl prop-2-enoate;methane;2-propan-2-ylperoxypropane
CID 174833427
tert-butyl prop-2-enoate;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 86609323

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl prop-2-enoate;hydride?
The IUPAC name of potassium;tert-butyl prop-2-enoate;hydride (CID 174867410) is potassium;tert-butyl prop-2-enoate;hydride.
What is the SMILES notation for potassium;tert-butyl prop-2-enoate;hydride?
The canonical SMILES for potassium;tert-butyl prop-2-enoate;hydride is C=CC(=O)OC(C)(C)C.[H-].[K+].
What is the InChIKey of potassium;tert-butyl prop-2-enoate;hydride?
The InChIKey is SGYCEZIVRIKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.K.H/c1-5-6(8)9-7(2,3)4;;/h5H,1H2,2-4H3;;/q;+1;-1.
What are the key properties of potassium;tert-butyl prop-2-enoate;hydride?
potassium;tert-butyl prop-2-enoate;hydride has a molecular weight of 168.28 g/mol, XLogP of -1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl prop-2-enoate;hydride is sourced from PubChem (CID 174867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).