sodium;2-propylpentanoate;2-propylpentanoic acid

C16H31NaO4 — CID 23663956

IUPACsodium;2-propylpentanoate;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKeyMSRILKIQRXUYCT-UHFFFAOYSA-M
MW310.41 g/mol
LogP0.24
Rot. Bonds10

About sodium;2-propylpentanoate;2-propylpentanoic acid

sodium;2-propylpentanoate;2-propylpentanoic acid (PubChem CID 23663956) has the molecular formula C16H31NaO4 and a molecular weight of 310.41 g/mol. Its IUPAC name is sodium;2-propylpentanoate;2-propylpentanoic acid.

Molecular Properties

Compound Namesodium;2-propylpentanoate;2-propylpentanoic acid
PubChem CID23663956
Molecular FormulaC16H31NaO4
Molecular Weight310.41 g/mol
Exact Mass310.21
IUPAC Namesodium;2-propylpentanoate;2-propylpentanoic acid
SMILESCCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1
InChIKeyMSRILKIQRXUYCT-UHFFFAOYSA-M
XLogP0.24
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;2-propylpentanoate;2-propylpentanoic acid?
The IUPAC name of sodium;2-propylpentanoate;2-propylpentanoic acid (CID 23663956) is sodium;2-propylpentanoate;2-propylpentanoic acid.
What is the SMILES notation for sodium;2-propylpentanoate;2-propylpentanoic acid?
The canonical SMILES for sodium;2-propylpentanoate;2-propylpentanoic acid is CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+].
What is the InChIKey of sodium;2-propylpentanoate;2-propylpentanoic acid?
The InChIKey is MSRILKIQRXUYCT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1.
What are the key properties of sodium;2-propylpentanoate;2-propylpentanoic acid?
sodium;2-propylpentanoate;2-propylpentanoic acid has a molecular weight of 310.41 g/mol, XLogP of 0.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-propylpentanoate;2-propylpentanoic acid is sourced from PubChem (CID 23663956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).