sodium 15-hydroxyoctadecanoate

C18H35NaO3 — CID 101326210

IUPACsodium 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C18H36O3.Na/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeySGALKYLBEXLCHL-UHFFFAOYSA-M
MW322.47 g/mol
LogP0.97
Rot. Bonds16

About sodium 15-hydroxyoctadecanoate

sodium 15-hydroxyoctadecanoate (PubChem CID 101326210) has the molecular formula C18H35NaO3 and a molecular weight of 322.47 g/mol. Its IUPAC name is sodium 15-hydroxyoctadecanoate.

Molecular Properties

Compound Namesodium 15-hydroxyoctadecanoate
PubChem CID101326210
Molecular FormulaC18H35NaO3
Molecular Weight322.47 g/mol
Exact Mass322.25
IUPAC Namesodium 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C18H36O3.Na/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeySGALKYLBEXLCHL-UHFFFAOYSA-M
XLogP0.97
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium 15-hydroxyoctadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 15-hydroxyoctadecanoate
CID 101326197
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
8-hydroxydodecanoate
CID 155802527
CID 71432168
CID 71432168
aluminum 12-hydroxyoctadecanoate
CID 21119248
5-hydroxyoctadecanoate
CID 126456525
potassium 5-hydroxyhexadecanoate
CID 171774657
sodium 6-propylnonanoate
CID 139616672
24-hydroxyheptacosanoic acid
CID 169277120
sodium 6,8-dihydroxyoctanoate
CID 23714776
16,19-dihydroxydocosanoic acid
CID 169277473
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168

Frequently Asked Questions

What is the IUPAC name of sodium 15-hydroxyoctadecanoate?
The IUPAC name of sodium 15-hydroxyoctadecanoate (CID 101326210) is sodium 15-hydroxyoctadecanoate.
What is the SMILES notation for sodium 15-hydroxyoctadecanoate?
The canonical SMILES for sodium 15-hydroxyoctadecanoate is CCCC(O)CCCCCCCCCCCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 15-hydroxyoctadecanoate?
The InChIKey is SGALKYLBEXLCHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O3.Na/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 15-hydroxyoctadecanoate?
sodium 15-hydroxyoctadecanoate has a molecular weight of 322.47 g/mol, XLogP of 0.97, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 15-hydroxyoctadecanoate is sourced from PubChem (CID 101326210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).