6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane

C19H35F2N3O2Si3 — CID 163284791

IUPAC6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2cc(F)c(F)cc2n1)O[Si](C)(C)C
InChIInChI=1S/C19H35F2N3O2Si3/c1-27(2,3)25-29(7,26-28(4,5)6)13-11-9-8-10-12-24-22-18-14-16(20)17(21)15-19(18)23-24/h14-15H,8-13H2,1-7H3
InChIKeyVOJPYGKHUIBUOQ-UHFFFAOYSA-N
MW459.76 g/mol
LogP6.04
Rot. Bonds11

About 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane

6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane (PubChem CID 163284791) has the molecular formula C19H35F2N3O2Si3 and a molecular weight of 459.76 g/mol. Its IUPAC name is 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane.

Molecular Properties

Compound Name6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane
PubChem CID163284791
Molecular FormulaC19H35F2N3O2Si3
Molecular Weight459.76 g/mol
Exact Mass459.20
IUPAC Name6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2cc(F)c(F)cc2n1)O[Si](C)(C)C
InChIInChI=1S/C19H35F2N3O2Si3/c1-27(2,3)25-29(7,26-28(4,5)6)13-11-9-8-10-12-24-22-18-14-16(20)17(21)15-19(18)23-24/h14-15H,8-13H2,1-7H3
InChIKeyVOJPYGKHUIBUOQ-UHFFFAOYSA-N
XLogP6.04
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylbenzotriazole
CID 590090
2-Butyl-2H-benzo[d][1,2,3]triazole
CID 3343351
2-Hexyl-2H-1,2,3-benzotriazole
CID 3797398
2-Propylbenzotriazole
CID 4311536
2-Pentylbenzotriazole
CID 5244322
2-Heptylbenzotriazole
CID 3789956
2-Hexan-2-ylbenzotriazole
CID 14169305
2-((Trimethylsilyl)methyl)-2H-benzo[d][1,2,3]triazole
CID 3717464
2-(Trimethoxysilylmethyl)benzo-triazole
CID 12964284
2-Dodecylbenzotriazole
CID 18949493
5-Fluoro-2-(4-trimethylsilanyl-but-3-ynyl)-2H-benzo[d][1,2,3]triazole
CID 66598539
2-(2-butyloctyl)-5,6-difluoro-2H-benzo[d][1,2,3] triazole
CID 66780948

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane?
The IUPAC name of 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane (CID 163284791) is 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane.
What is the SMILES notation for 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane?
The canonical SMILES for 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](C)(CCCCCCn1nc2cc(F)c(F)cc2n1)O[Si](C)(C)C.
What is the InChIKey of 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane?
The InChIKey is VOJPYGKHUIBUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F2N3O2Si3/c1-27(2,3)25-29(7,26-28(4,5)6)13-11-9-8-10-12-24-22-18-14-16(20)17(21)15-19(18)23-24/h14-15H,8-13H2,1-7H3.
What are the key properties of 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane?
6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane has a molecular weight of 459.76 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-difluorobenzotriazol-2-yl)hexyl-methyl-bis(trimethylsilyloxy)silane is sourced from PubChem (CID 163284791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).