sodium pentadecanoate

C15H29NaO2 — CID 23663638

IUPACsodium pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C15H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyDLJKLUIGOGBWRW-UHFFFAOYSA-M
MW264.38 g/mol
LogP0.83
Rot. Bonds13

About sodium pentadecanoate

sodium pentadecanoate (PubChem CID 23663638) has the molecular formula C15H29NaO2 and a molecular weight of 264.38 g/mol. Its IUPAC name is sodium pentadecanoate.

Molecular Properties

Compound Namesodium pentadecanoate
PubChem CID23663638
Molecular FormulaC15H29NaO2
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Namesodium pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C15H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1
InChIKeyDLJKLUIGOGBWRW-UHFFFAOYSA-M
XLogP0.83
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
lithium;sodium;bis(octadecanoate)
CID 159275770
disodium;hexadecanoate;hydride
CID 175497394
trisodium;octadecanoate;carbonate
CID 162024794
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696

Frequently Asked Questions

What is the IUPAC name of sodium pentadecanoate?
The IUPAC name of sodium pentadecanoate (CID 23663638) is sodium pentadecanoate.
What is the SMILES notation for sodium pentadecanoate?
The canonical SMILES for sodium pentadecanoate is CCCCCCCCCCCCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium pentadecanoate?
The InChIKey is DLJKLUIGOGBWRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2-14H2,1H3,(H,16,17);/q;+1/p-1.
What are the key properties of sodium pentadecanoate?
sodium pentadecanoate has a molecular weight of 264.38 g/mol, XLogP of 0.83, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pentadecanoate is sourced from PubChem (CID 23663638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).