sodium 2-propylpent-4-enoate

C8H13NaO2 — CID 24840951

IUPACsodium 2-propylpent-4-enoate
SMILESC=CCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h3,7H,1,4-6H2,2H3,(H,9,10);/q;+1/p-1
InChIKeyOLOUJEBUPOMIFG-UHFFFAOYSA-M
MW164.18 g/mol
LogP-2.27
Rot. Bonds5

About sodium 2-propylpent-4-enoate

sodium 2-propylpent-4-enoate (PubChem CID 24840951) has the molecular formula C8H13NaO2 and a molecular weight of 164.18 g/mol. Its IUPAC name is sodium 2-propylpent-4-enoate.

Molecular Properties

Compound Namesodium 2-propylpent-4-enoate
PubChem CID24840951
Molecular FormulaC8H13NaO2
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Namesodium 2-propylpent-4-enoate
SMILESC=CCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h3,7H,1,4-6H2,2H3,(H,9,10);/q;+1/p-1
InChIKeyOLOUJEBUPOMIFG-UHFFFAOYSA-M
XLogP-2.27
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-propylpent-4-enoate?
The IUPAC name of sodium 2-propylpent-4-enoate (CID 24840951) is sodium 2-propylpent-4-enoate.
What is the SMILES notation for sodium 2-propylpent-4-enoate?
The canonical SMILES for sodium 2-propylpent-4-enoate is C=CCC(CCC)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-propylpent-4-enoate?
The InChIKey is OLOUJEBUPOMIFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O2.Na/c1-3-5-7(6-4-2)8(9)10;/h3,7H,1,4-6H2,2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-propylpent-4-enoate?
sodium 2-propylpent-4-enoate has a molecular weight of 164.18 g/mol, XLogP of -2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-propylpent-4-enoate is sourced from PubChem (CID 24840951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).