sodium 2-propylpentanoate

C8H15NaO2 — CID 16760703

IUPACsodium 2-propylpentanoate
SMILESCCCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyAEQFSUDEHCCHBT-UHFFFAOYSA-M
MW166.20 g/mol
LogP-2.04
Rot. Bonds5

About sodium 2-propylpentanoate

sodium 2-propylpentanoate (PubChem CID 16760703) has the molecular formula C8H15NaO2 and a molecular weight of 166.20 g/mol. Its IUPAC name is sodium 2-propylpentanoate.

Molecular Properties

Compound Namesodium 2-propylpentanoate
PubChem CID16760703
Molecular FormulaC8H15NaO2
Molecular Weight166.20 g/mol
Exact Mass166.10
IUPAC Namesodium 2-propylpentanoate
SMILESCCCC(CCC)C(=O)[O-].[Na+]
InChIInChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyAEQFSUDEHCCHBT-UHFFFAOYSA-M
XLogP-2.04
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-propylpentanoate?
The IUPAC name of sodium 2-propylpentanoate (CID 16760703) is sodium 2-propylpentanoate.
What is the SMILES notation for sodium 2-propylpentanoate?
The canonical SMILES for sodium 2-propylpentanoate is CCCC(CCC)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-propylpentanoate?
The InChIKey is AEQFSUDEHCCHBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2-propylpentanoate?
sodium 2-propylpentanoate has a molecular weight of 166.20 g/mol, XLogP of -2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-propylpentanoate is sourced from PubChem (CID 16760703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).