2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol

C27H43N3O3Si3 — CID 175400873

IUPAC2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol
SMILESCc1cc(CC(C)C[Si]2(O[Si](C)(C)C)CCC(C)(C)O[Si]2(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C27H43N3O3Si3/c1-20-16-22(26(31)25(18-20)30-28-23-12-10-11-13-24(23)29-30)17-21(2)19-36(33-34(5,6)7)15-14-27(3,4)32-35(36,8)9/h10-13,16,18,21,31H,14-15,17,19H2,1-9H3
InChIKeyBGRNKUQSIIHSCD-UHFFFAOYSA-N
MW541.92 g/mol
LogP6.89
Rot. Bonds7

About 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol

2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol (PubChem CID 175400873) has the molecular formula C27H43N3O3Si3 and a molecular weight of 541.92 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol
PubChem CID175400873
Molecular FormulaC27H43N3O3Si3
Molecular Weight541.92 g/mol
Exact Mass541.26
IUPAC Name2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol
SMILESCc1cc(CC(C)C[Si]2(O[Si](C)(C)C)CCC(C)(C)O[Si]2(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C27H43N3O3Si3/c1-20-16-22(26(31)25(18-20)30-28-23-12-10-11-13-24(23)29-30)17-21(2)19-36(33-34(5,6)7)15-14-27(3,4)32-35(36,8)9/h10-13,16,18,21,31H,14-15,17,19H2,1-9H3
InChIKeyBGRNKUQSIIHSCD-UHFFFAOYSA-N
XLogP6.89
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.92
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol (CID 175400873) is 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol is Cc1cc(CC(C)C[Si]2(O[Si](C)(C)C)CCC(C)(C)O[Si]2(C)C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol?
The InChIKey is BGRNKUQSIIHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O3Si3/c1-20-16-22(26(31)25(18-20)30-28-23-12-10-11-13-24(23)29-30)17-21(2)19-36(33-34(5,6)7)15-14-27(3,4)32-35(36,8)9/h10-13,16,18,21,31H,14-15,17,19H2,1-9H3.
What are the key properties of 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol?
2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol has a molecular weight of 541.92 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-(2,2,6,6-tetramethyl-3-trimethylsilyloxyoxadisilinan-3-yl)propyl]phenol is sourced from PubChem (CID 175400873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).