(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver

C18H34AgO3 — CID 174840171

IUPAC(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.[Ag]
InChIInChI=1S/C18H34O3.Ag/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1
InChIKeyGYYSSPDNZAETSZ-DPMBMXLASA-N
MW406.34 g/mol
LogP5.08
Rot. Bonds15

About (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver

(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver (PubChem CID 174840171) has the molecular formula C18H34AgO3 and a molecular weight of 406.34 g/mol. Its IUPAC name is (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver.

Molecular Properties

Compound Name(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
PubChem CID174840171
Molecular FormulaC18H34AgO3
Molecular Weight406.34 g/mol
Exact Mass405.16
IUPAC Name(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.[Ag]
InChIInChI=1S/C18H34O3.Ag/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1
InChIKeyGYYSSPDNZAETSZ-DPMBMXLASA-N
XLogP5.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
CID 131874957
CID 131874957
CID 175884069
CID 175884069
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974

Frequently Asked Questions

What is the IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver?
The IUPAC name of (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver (CID 174840171) is (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver.
What is the SMILES notation for (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver?
The canonical SMILES for (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O.[Ag].
What is the InChIKey of (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver?
The InChIKey is GYYSSPDNZAETSZ-DPMBMXLASA-N. The full InChI is InChI=1S/C18H34O3.Ag/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/b12-9-;/t17-;/m1./s1.
What are the key properties of (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver?
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver has a molecular weight of 406.34 g/mol, XLogP of 5.08, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,12R)-12-hydroxyoctadec-9-enoic acid;silver is sourced from PubChem (CID 174840171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).