trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane

C25H53N3O2Si5 — CID 176897869

IUPACtrimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)ccc([Si](C)(C)C)c2n1)O[Si](C)(C)C
InChIInChI=1S/C25H53N3O2Si5/c1-31(2,3)22-18-19-23(32(4,5)6)25-24(22)26-28(27-25)20-16-14-15-17-21-35(13,29-33(7,8)9)30-34(10,11)12/h18-19H,14-17,20-21H2,1-13H3
InChIKeyTXSHKXSGYCSWEF-UHFFFAOYSA-N
MW568.15 g/mol
LogP6.86
Rot. Bonds13

About trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane

trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane (PubChem CID 176897869) has the molecular formula C25H53N3O2Si5 and a molecular weight of 568.15 g/mol. Its IUPAC name is trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane
PubChem CID176897869
Molecular FormulaC25H53N3O2Si5
Molecular Weight568.15 g/mol
Exact Mass567.30
IUPAC Nametrimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane
SMILESC[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)ccc([Si](C)(C)C)c2n1)O[Si](C)(C)C
InChIInChI=1S/C25H53N3O2Si5/c1-31(2,3)22-18-19-23(32(4,5)6)25-24(22)26-28(27-25)20-16-14-15-17-21-35(13,29-33(7,8)9)30-34(10,11)12/h18-19H,14-17,20-21H2,1-13H3
InChIKeyTXSHKXSGYCSWEF-UHFFFAOYSA-N
XLogP6.86
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.15
LogP ≤ 56.86
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-Isopropyl-2H-benzo[d][1,2,3]triazole
CID 640724
2-sec-butyl-2H-benzotriazole
CID 4638247
2-Heptylbenzotriazole
CID 3789956
2-Pentan-2-ylbenzotriazole
CID 10352491
2-Hexan-2-ylbenzotriazole
CID 14169305
2-((Trimethylsilyl)methyl)-2H-benzo[d][1,2,3]triazole
CID 3717464
2-[(E)-pent-3-en-2-yl]benzotriazole
CID 56654211

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane?
The IUPAC name of trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane (CID 176897869) is trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane.
What is the SMILES notation for trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane?
The canonical SMILES for trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane is C[Si](C)(C)O[Si](C)(CCCCCCn1nc2c([Si](C)(C)C)ccc([Si](C)(C)C)c2n1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane?
The InChIKey is TXSHKXSGYCSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N3O2Si5/c1-31(2,3)22-18-19-23(32(4,5)6)25-24(22)26-28(27-25)20-16-14-15-17-21-35(13,29-33(7,8)9)30-34(10,11)12/h18-19H,14-17,20-21H2,1-13H3.
What are the key properties of trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane?
trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane has a molecular weight of 568.15 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]-7-trimethylsilylbenzotriazol-4-yl]silane is sourced from PubChem (CID 176897869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).