sodium (Z)-2-propylpent-2-enoate

C8H13NaO2 — CID 23705024

IUPACsodium (Z)-2-propylpent-2-enoate
SMILESCC/C=C(/CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h5H,3-4,6H2,1-2H3,(H,9,10);/q;+1/p-1/b7-5-;
InChIKeyOTCQEYNPLHOZTK-YJOCEBFMSA-M
MW164.18 g/mol
LogP-2.12
Rot. Bonds4

About sodium (Z)-2-propylpent-2-enoate

sodium (Z)-2-propylpent-2-enoate (PubChem CID 23705024) has the molecular formula C8H13NaO2 and a molecular weight of 164.18 g/mol. Its IUPAC name is sodium (Z)-2-propylpent-2-enoate.

Molecular Properties

Compound Namesodium (Z)-2-propylpent-2-enoate
PubChem CID23705024
Molecular FormulaC8H13NaO2
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Namesodium (Z)-2-propylpent-2-enoate
SMILESCC/C=C(/CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h5H,3-4,6H2,1-2H3,(H,9,10);/q;+1/p-1/b7-5-;
InChIKeyOTCQEYNPLHOZTK-YJOCEBFMSA-M
XLogP-2.12
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium (Z)-2-propylpent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium bis(2-ethylidenepentanoate)
CID 156698834
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
bis(dimethyl-bis(prop-2-enyl)azanium);2-propylideneoctanoate;chloride
CID 173329281
trimethylsilyl (E)-2-propylpent-2-enoate
CID 5352357
potassium butanoate
CID 23677461
tetrapotassium;butanoate
CID 140982885
(E)-2-methylpent-2-enoate
CID 7006461
methyl (2S)-2-[[(E)-2-propylpent-2-enoyl]amino]propanoate
CID 22868060
2-butanoyloxyethyl 2-propylpent-2-enoate
CID 173000512
(Z)-N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
CID 10219826
2-propylpentanoic acid;2-propylpent-2-enoic acid
CID 161489381
tert-butyl (E)-2-propylpent-2-eneperoxoate
CID 131877936

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-2-propylpent-2-enoate?
The IUPAC name of sodium (Z)-2-propylpent-2-enoate (CID 23705024) is sodium (Z)-2-propylpent-2-enoate.
What is the SMILES notation for sodium (Z)-2-propylpent-2-enoate?
The canonical SMILES for sodium (Z)-2-propylpent-2-enoate is CC/C=C(/CCC)C(=O)[O-].[Na+].
What is the InChIKey of sodium (Z)-2-propylpent-2-enoate?
The InChIKey is OTCQEYNPLHOZTK-YJOCEBFMSA-M. The full InChI is InChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h5H,3-4,6H2,1-2H3,(H,9,10);/q;+1/p-1/b7-5-;.
What are the key properties of sodium (Z)-2-propylpent-2-enoate?
sodium (Z)-2-propylpent-2-enoate has a molecular weight of 164.18 g/mol, XLogP of -2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-2-propylpent-2-enoate is sourced from PubChem (CID 23705024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).