10-(4-tributylstannyltriazol-1-yl)decanoic acid

C24H47N3O2Sn — CID 67975439

IUPAC10-(4-tributylstannyltriazol-1-yl)decanoic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CCCCCCCCCC(=O)O)nn1
InChIInChI=1S/C12H20N3O2.3C4H9.Sn/c16-12(17)8-6-4-2-1-3-5-7-10-15-11-9-13-14-15;3*1-3-4-2;/h11H,1-8,10H2,(H,16,17);3*1,3-4H2,2H3;
InChIKeyWYZFKTMUDFAILV-UHFFFAOYSA-N
MW528.37 g/mol
LogP6.54
Rot. Bonds20

About 10-(4-tributylstannyltriazol-1-yl)decanoic acid

10-(4-tributylstannyltriazol-1-yl)decanoic acid (PubChem CID 67975439) has the molecular formula C24H47N3O2Sn and a molecular weight of 528.37 g/mol. Its IUPAC name is 10-(4-tributylstannyltriazol-1-yl)decanoic acid.

Molecular Properties

Compound Name10-(4-tributylstannyltriazol-1-yl)decanoic acid
PubChem CID67975439
Molecular FormulaC24H47N3O2Sn
Molecular Weight528.37 g/mol
Exact Mass529.27
IUPAC Name10-(4-tributylstannyltriazol-1-yl)decanoic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(CCCCCCCCCC(=O)O)nn1
InChIInChI=1S/C12H20N3O2.3C4H9.Sn/c16-12(17)8-6-4-2-1-3-5-7-10-15-11-9-13-14-15;3*1-3-4-2;/h11H,1-8,10H2,(H,16,17);3*1,3-4H2,2H3;
InChIKeyWYZFKTMUDFAILV-UHFFFAOYSA-N
XLogP6.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.37
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-tributylstannyltriazol-1-yl)acetate
CID 86711730
3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
iron;octadecanoic acid;zinc
CID 173220720
11-[butyl(dimethyl)stannyl]undecanoic acid
CID 71370652
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
tetrakis(heptanoic acid);iron
CID 163272777
octadecane;octadecanoic acid;zinc
CID 175089240
bis(decanoic acid);zinc
CID 118855949
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438

Frequently Asked Questions

What is the IUPAC name of 10-(4-tributylstannyltriazol-1-yl)decanoic acid?
The IUPAC name of 10-(4-tributylstannyltriazol-1-yl)decanoic acid (CID 67975439) is 10-(4-tributylstannyltriazol-1-yl)decanoic acid.
What is the SMILES notation for 10-(4-tributylstannyltriazol-1-yl)decanoic acid?
The canonical SMILES for 10-(4-tributylstannyltriazol-1-yl)decanoic acid is CCCC[Sn](CCCC)(CCCC)c1cn(CCCCCCCCCC(=O)O)nn1.
What is the InChIKey of 10-(4-tributylstannyltriazol-1-yl)decanoic acid?
The InChIKey is WYZFKTMUDFAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N3O2.3C4H9.Sn/c16-12(17)8-6-4-2-1-3-5-7-10-15-11-9-13-14-15;3*1-3-4-2;/h11H,1-8,10H2,(H,16,17);3*1,3-4H2,2H3;.
What are the key properties of 10-(4-tributylstannyltriazol-1-yl)decanoic acid?
10-(4-tributylstannyltriazol-1-yl)decanoic acid has a molecular weight of 528.37 g/mol, XLogP of 6.54, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tributylstannyltriazol-1-yl)decanoic acid is sourced from PubChem (CID 67975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).