sodium heptadecanoate

C17H33NaO2 — CID 23663632

IUPACsodium heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C17H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyOVYNXDWUWZJFBZ-UHFFFAOYSA-M
MW292.44 g/mol
LogP1.61
Rot. Bonds15

About sodium heptadecanoate

sodium heptadecanoate (PubChem CID 23663632) has the molecular formula C17H33NaO2 and a molecular weight of 292.44 g/mol. Its IUPAC name is sodium heptadecanoate.

Molecular Properties

Compound Namesodium heptadecanoate
PubChem CID23663632
Molecular FormulaC17H33NaO2
Molecular Weight292.44 g/mol
Exact Mass292.24
IUPAC Namesodium heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C17H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyOVYNXDWUWZJFBZ-UHFFFAOYSA-M
XLogP1.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.61
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 pentadecanoate
CID 23663638
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
disodium;hexadecanoate;hydride
CID 175497394
lithium;sodium;bis(octadecanoate)
CID 159275770
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 heptadecanoate?
The IUPAC name of sodium heptadecanoate (CID 23663632) is sodium heptadecanoate.
What is the SMILES notation for sodium heptadecanoate?
The canonical SMILES for sodium heptadecanoate is CCCCCCCCCCCCCCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium heptadecanoate?
The InChIKey is OVYNXDWUWZJFBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium heptadecanoate?
sodium heptadecanoate has a molecular weight of 292.44 g/mol, XLogP of 1.61, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium heptadecanoate is sourced from PubChem (CID 23663632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).