silver 9-chlorooctadec-9-enoate

C18H32AgClO2 — CID 173443015

IUPACsilver 9-chlorooctadec-9-enoate
SMILESCCCCCCCCC=C(Cl)CCCCCCCC(=O)[O-].[Ag+]
InChIInChI=1S/C18H33ClO2.Ag/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21;/h14H,2-13,15-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyRYGJGOOPJOTERH-UHFFFAOYSA-M
MW423.77 g/mol
LogP5.34
Rot. Bonds15

About silver 9-chlorooctadec-9-enoate

silver 9-chlorooctadec-9-enoate (PubChem CID 173443015) has the molecular formula C18H32AgClO2 and a molecular weight of 423.77 g/mol. Its IUPAC name is silver 9-chlorooctadec-9-enoate.

Molecular Properties

Compound Namesilver 9-chlorooctadec-9-enoate
PubChem CID173443015
Molecular FormulaC18H32AgClO2
Molecular Weight423.77 g/mol
Exact Mass422.11
IUPAC Namesilver 9-chlorooctadec-9-enoate
SMILESCCCCCCCCC=C(Cl)CCCCCCCC(=O)[O-].[Ag+]
InChIInChI=1S/C18H33ClO2.Ag/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21;/h14H,2-13,15-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyRYGJGOOPJOTERH-UHFFFAOYSA-M
XLogP5.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 55.34
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

silver octanoate
CID 15250566
tetrasilver;tetrakis(decanoate)
CID 173175314
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
iron(2+);bis((Z)-octadec-11-enoate)
CID 175691867
tris((Z)-icos-9-enoate);indium(3+)
CID 175691542
erbium(3+);tris((Z)-octadec-11-enoate)
CID 175691885
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848

Frequently Asked Questions

What is the IUPAC name of silver 9-chlorooctadec-9-enoate?
The IUPAC name of silver 9-chlorooctadec-9-enoate (CID 173443015) is silver 9-chlorooctadec-9-enoate.
What is the SMILES notation for silver 9-chlorooctadec-9-enoate?
The canonical SMILES for silver 9-chlorooctadec-9-enoate is CCCCCCCCC=C(Cl)CCCCCCCC(=O)[O-].[Ag+].
What is the InChIKey of silver 9-chlorooctadec-9-enoate?
The InChIKey is RYGJGOOPJOTERH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H33ClO2.Ag/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21;/h14H,2-13,15-16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of silver 9-chlorooctadec-9-enoate?
silver 9-chlorooctadec-9-enoate has a molecular weight of 423.77 g/mol, XLogP of 5.34, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silver 9-chlorooctadec-9-enoate is sourced from PubChem (CID 173443015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).