sodium (Z)-19-hydroxyicos-5-enoate

C20H37NaO3 — CID 130408134

IUPACsodium (Z)-19-hydroxyicos-5-enoate
SMILESCC(O)CCCCCCCCCCCC/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H38O3.Na/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23;/h10,12,19,21H,2-9,11,13-18H2,1H3,(H,22,23);/q;+1/p-1/b12-10-;
InChIKeyCCWRCENOIPPXKQ-BBJSDXRSSA-M
MW348.50 g/mol
LogP1.53
Rot. Bonds17

About sodium (Z)-19-hydroxyicos-5-enoate

sodium (Z)-19-hydroxyicos-5-enoate (PubChem CID 130408134) has the molecular formula C20H37NaO3 and a molecular weight of 348.50 g/mol. Its IUPAC name is sodium (Z)-19-hydroxyicos-5-enoate.

Molecular Properties

Compound Namesodium (Z)-19-hydroxyicos-5-enoate
PubChem CID130408134
Molecular FormulaC20H37NaO3
Molecular Weight348.50 g/mol
Exact Mass348.26
IUPAC Namesodium (Z)-19-hydroxyicos-5-enoate
SMILESCC(O)CCCCCCCCCCCC/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H38O3.Na/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23;/h10,12,19,21H,2-9,11,13-18H2,1H3,(H,22,23);/q;+1/p-1/b12-10-;
InChIKeyCCWRCENOIPPXKQ-BBJSDXRSSA-M
XLogP1.53
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of sodium (Z)-19-hydroxyicos-5-enoate?
The IUPAC name of sodium (Z)-19-hydroxyicos-5-enoate (CID 130408134) is sodium (Z)-19-hydroxyicos-5-enoate.
What is the SMILES notation for sodium (Z)-19-hydroxyicos-5-enoate?
The canonical SMILES for sodium (Z)-19-hydroxyicos-5-enoate is CC(O)CCCCCCCCCCCC/C=C\CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium (Z)-19-hydroxyicos-5-enoate?
The InChIKey is CCWRCENOIPPXKQ-BBJSDXRSSA-M. The full InChI is InChI=1S/C20H38O3.Na/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23;/h10,12,19,21H,2-9,11,13-18H2,1H3,(H,22,23);/q;+1/p-1/b12-10-;.
What are the key properties of sodium (Z)-19-hydroxyicos-5-enoate?
sodium (Z)-19-hydroxyicos-5-enoate has a molecular weight of 348.50 g/mol, XLogP of 1.53, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-19-hydroxyicos-5-enoate is sourced from PubChem (CID 130408134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).