CID 175883907

C19H36NaO3 — CID 175883907

IUPAC—
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC.[Na]
InChIInChI=1S/C19H36O3.Na/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2;/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3;/b13-10-;/t18-;/m1./s1
InChIKeyLQIQXKKXGCCEDF-FBEZDOILSA-N
MW335.48 g/mol
LogP4.79
Rot. Bonds15

About CID 175883907

CID 175883907 (PubChem CID 175883907) has the molecular formula C19H36NaO3 and a molecular weight of 335.48 g/mol.

Molecular Properties

Compound NameCID 175883907
PubChem CID175883907
Molecular FormulaC19H36NaO3
Molecular Weight335.48 g/mol
Exact Mass335.26
IUPAC Name—
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC.[Na]
InChIInChI=1S/C19H36O3.Na/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2;/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3;/b13-10-;/t18-;/m1./s1
InChIKeyLQIQXKKXGCCEDF-FBEZDOILSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
[(Z)-octadec-9-enoyl] (Z)-12-hydroxyoctadec-9-enoate
CID 6432879
methyl (Z)-9-hydroxyoctadec-12-enoate
CID 13406970
[(Z,12R)-12-hydroxyoctadec-9-enoyl] (Z)-12-hydroxyoctadec-9-enoate
CID 87086413
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 6437405
pentadecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 88647381
[(E)-octadec-9-enyl] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 124524443
[(Z,12R)-12-hydroxyoctadec-9-enyl] octatriacontanoate
CID 168953362
[(Z,12R)-12-hydroxyoctadec-9-enyl] hexadecanoate
CID 168953438
docosyl 12-hydroxyoctadec-9-enoate
CID 53436564
undecyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87642834

Frequently Asked Questions

What is the IUPAC name of CID 175883907?
The IUPAC name of CID 175883907 (CID 175883907) is not available.
What is the SMILES notation for CID 175883907?
The canonical SMILES for CID 175883907 is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC.[Na].
What is the InChIKey of CID 175883907?
The InChIKey is LQIQXKKXGCCEDF-FBEZDOILSA-N. The full InChI is InChI=1S/C19H36O3.Na/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2;/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3;/b13-10-;/t18-;/m1./s1.
What are the key properties of CID 175883907?
CID 175883907 has a molecular weight of 335.48 g/mol, XLogP of 4.79, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175883907 is sourced from PubChem (CID 175883907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).