benzotriazol-1-yl-butyl-dimethylsilane

C12H19N3Si — CID 69051980

IUPACbenzotriazol-1-yl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)n1nnc2ccccc21
InChIInChI=1S/C12H19N3Si/c1-4-5-10-16(2,3)15-12-9-7-6-8-11(12)13-14-15/h6-9H,4-5,10H2,1-3H3
InChIKeyMQJUHLYWSDZJEF-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.28
Rot. Bonds4

About benzotriazol-1-yl-butyl-dimethylsilane

benzotriazol-1-yl-butyl-dimethylsilane (PubChem CID 69051980) has the molecular formula C12H19N3Si and a molecular weight of 233.39 g/mol. Its IUPAC name is benzotriazol-1-yl-butyl-dimethylsilane.

Molecular Properties

Compound Namebenzotriazol-1-yl-butyl-dimethylsilane
PubChem CID69051980
Molecular FormulaC12H19N3Si
Molecular Weight233.39 g/mol
Exact Mass233.13
IUPAC Namebenzotriazol-1-yl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)n1nnc2ccccc21
InChIInChI=1S/C12H19N3Si/c1-4-5-10-16(2,3)15-12-9-7-6-8-11(12)13-14-15/h6-9H,4-5,10H2,1-3H3
InChIKeyMQJUHLYWSDZJEF-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tridecylbenzotriazole
CID 21059042
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
silver 1-octylbenzotriazole
CID 19818350
N-butylbenzotriazole-1-carbothioamide
CID 26793399
1-(butylselanylmethyl)benzotriazole
CID 10635572
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-hydroxybenzotriazole;tetrabutylazanium;chloride
CID 174721799
1-pentylsulfonylbenzotriazole
CID 69167737
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
acetic acid;1-octylbenzotriazole
CID 175150004
benzotriazol-1-yl(trimethyl)stannane
CID 165357783

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-butyl-dimethylsilane?
The IUPAC name of benzotriazol-1-yl-butyl-dimethylsilane (CID 69051980) is benzotriazol-1-yl-butyl-dimethylsilane.
What is the SMILES notation for benzotriazol-1-yl-butyl-dimethylsilane?
The canonical SMILES for benzotriazol-1-yl-butyl-dimethylsilane is CCCC[Si](C)(C)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-butyl-dimethylsilane?
The InChIKey is MQJUHLYWSDZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3Si/c1-4-5-10-16(2,3)15-12-9-7-6-8-11(12)13-14-15/h6-9H,4-5,10H2,1-3H3.
What are the key properties of benzotriazol-1-yl-butyl-dimethylsilane?
benzotriazol-1-yl-butyl-dimethylsilane has a molecular weight of 233.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-butyl-dimethylsilane is sourced from PubChem (CID 69051980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).