silver 1-octylbenzotriazole

C14H21AgN3+ — CID 19818350

IUPACsilver 1-octylbenzotriazole
SMILESCCCCCCCCn1nnc2ccccc21.[Ag+]
InChIInChI=1S/C14H21N3.Ag/c1-2-3-4-5-6-9-12-17-14-11-8-7-10-13(14)15-16-17;/h7-8,10-11H,2-6,9,12H2,1H3;/q;+1
InChIKeyLYPHMLUUYLTQIF-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.79
Rot. Bonds7

About silver 1-octylbenzotriazole

silver 1-octylbenzotriazole (PubChem CID 19818350) has the molecular formula C14H21AgN3+ and a molecular weight of 339.21 g/mol. Its IUPAC name is silver 1-octylbenzotriazole.

Molecular Properties

Compound Namesilver 1-octylbenzotriazole
PubChem CID19818350
Molecular FormulaC14H21AgN3+
Molecular Weight339.21 g/mol
Exact Mass338.08
IUPAC Namesilver 1-octylbenzotriazole
SMILESCCCCCCCCn1nnc2ccccc21.[Ag+]
InChIInChI=1S/C14H21N3.Ag/c1-2-3-4-5-6-9-12-17-14-11-8-7-10-13(14)15-16-17;/h7-8,10-11H,2-6,9,12H2,1H3;/q;+1
InChIKeyLYPHMLUUYLTQIF-UHFFFAOYSA-N
XLogP3.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tridecylbenzotriazole
CID 21059042
acetic acid;1-octylbenzotriazole
CID 175150004
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
18-(benzotriazol-1-yl)octadecanoic acid
CID 19873915
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(3-chloropropyl)benzotriazole
CID 5243938
1-(butylselanylmethyl)benzotriazole
CID 10635572
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
3-(benzotriazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62563385

Frequently Asked Questions

What is the IUPAC name of silver 1-octylbenzotriazole?
The IUPAC name of silver 1-octylbenzotriazole (CID 19818350) is silver 1-octylbenzotriazole.
What is the SMILES notation for silver 1-octylbenzotriazole?
The canonical SMILES for silver 1-octylbenzotriazole is CCCCCCCCn1nnc2ccccc21.[Ag+].
What is the InChIKey of silver 1-octylbenzotriazole?
The InChIKey is LYPHMLUUYLTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.Ag/c1-2-3-4-5-6-9-12-17-14-11-8-7-10-13(14)15-16-17;/h7-8,10-11H,2-6,9,12H2,1H3;/q;+1.
What are the key properties of silver 1-octylbenzotriazole?
silver 1-octylbenzotriazole has a molecular weight of 339.21 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silver 1-octylbenzotriazole is sourced from PubChem (CID 19818350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).