sodium pentanoate

C5H9NaO2 — CID 3669864

IUPACsodium pentanoate
SMILESCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyLHYPLJGBYPAQAK-UHFFFAOYSA-M
MW124.11 g/mol
LogP-3.07
Rot. Bonds3

About sodium pentanoate

sodium pentanoate (PubChem CID 3669864) has the molecular formula C5H9NaO2 and a molecular weight of 124.11 g/mol. Its IUPAC name is sodium pentanoate.

Molecular Properties

Compound Namesodium pentanoate
PubChem CID3669864
Molecular FormulaC5H9NaO2
Molecular Weight124.11 g/mol
Exact Mass124.05
IUPAC Namesodium pentanoate
SMILESCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
InChIKeyLHYPLJGBYPAQAK-UHFFFAOYSA-M
XLogP-3.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.11
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pentanoic Acid
CID 7991
Methyl valerate
CID 12206
Valerate
CID 114781
Hexanoate
CID 4398339
Sodium hexanoate
CID 4087444
Ammonium Valerate
CID 162525
Potassium valerate
CID 23668516
Isocaproic acid, sodium salt
CID 23672490
Sodium 3-Methylvalerate
CID 54584941
Pentanoic-d9 acid
CID 45934159
Sodium 2-Methylvalerate
CID 23673162
(1-~13~C)Pentanoic acid
CID 12249098

Frequently Asked Questions

What is the IUPAC name of sodium pentanoate?
The IUPAC name of sodium pentanoate (CID 3669864) is sodium pentanoate.
What is the SMILES notation for sodium pentanoate?
The canonical SMILES for sodium pentanoate is CCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium pentanoate?
The InChIKey is LHYPLJGBYPAQAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1.
What are the key properties of sodium pentanoate?
sodium pentanoate has a molecular weight of 124.11 g/mol, XLogP of -3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pentanoate is sourced from PubChem (CID 3669864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).