2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol

C24H33N3O3Si — CID 177097226

IUPAC2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol
SMILESC=C[Si](C)(C)CCCOc1cc(-n2nc3ccc(CO)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33N3O3Si/c1-7-31(5,6)12-8-11-30-18-14-19(24(2,3)4)23(29)22(15-18)27-25-20-10-9-17(16-28)13-21(20)26-27/h7,9-10,13-15,28-29H,1,8,11-12,16H2,2-6H3
InChIKeyOPTCSNIOBDPFAU-UHFFFAOYSA-N
MW439.63 g/mol
LogP5.12
Rot. Bonds8

About 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol

2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol (PubChem CID 177097226) has the molecular formula C24H33N3O3Si and a molecular weight of 439.63 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol
PubChem CID177097226
Molecular FormulaC24H33N3O3Si
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC Name2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol
SMILESC=C[Si](C)(C)CCCOc1cc(-n2nc3ccc(CO)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C24H33N3O3Si/c1-7-31(5,6)12-8-11-30-18-14-19(24(2,3)4)23(29)22(15-18)27-25-20-10-9-17(16-28)13-21(20)26-27/h7,9-10,13-15,28-29H,1,8,11-12,16H2,2-6H3
InChIKeyOPTCSNIOBDPFAU-UHFFFAOYSA-N
XLogP5.12
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.63
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-tert-butyl-6-(5-methoxybenzotriazol-2-yl)-4-[3-(2-methylprop-1-enylsilyl)propoxy]phenol
CID 119076167
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(3-hydroxypropoxy)phenol;3-[2-[3-tert-butyl-2-hydroxy-5-(3-hydroxypropoxy)phenyl]benzotriazol-5-yl]sulfanylpropane-1,2-diol
CID 160758036
3-trimethylsilylpropyl 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoate
CID 162549073
2-[3-tert-butyl-4-hydroxy-5-(5-methoxybenzotriazol-2-yl)phenyl]ethyl prop-2-enoate
CID 139631334
2-tert-butyl-4-methyl-6-[5-[2-[methyl(methylidene)-λ4-sulfanyl]ethyl]benzotriazol-2-yl]phenol
CID 140801651
2-(benzotriazol-2-yl)-6-tert-butyl-4-ethenylphenol
CID 59815222
2,4-ditert-butyl-6-(5-sulfanylbenzotriazol-2-yl)phenol
CID 137142820
2-tert-butyl-4-methyl-6-[5-[9-[methylidene(octyl)-λ4-sulfanyl]nonyl]benzotriazol-2-yl]phenol
CID 140801656
2-[5,6-bis(hydroxymethyl)benzotriazol-2-yl]-6-tert-butyl-4-methylphenol
CID 89032326
2-(5-aminobenzotriazol-2-yl)-4,6-ditert-butylphenol
CID 58704461
4-(aminomethyl)-2-(benzotriazol-2-yl)-6-tert-butylphenol
CID 152674943
2-(benzotriazol-2-yl)-4,6-ditert-butylphenol
CID 158028605

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol?
The IUPAC name of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol (CID 177097226) is 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol is C=C[Si](C)(C)CCCOc1cc(-n2nc3ccc(CO)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol?
The InChIKey is OPTCSNIOBDPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3Si/c1-7-31(5,6)12-8-11-30-18-14-19(24(2,3)4)23(29)22(15-18)27-25-20-10-9-17(16-28)13-21(20)26-27/h7,9-10,13-15,28-29H,1,8,11-12,16H2,2-6H3.
What are the key properties of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol?
2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol has a molecular weight of 439.63 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[5-(hydroxymethyl)benzotriazol-2-yl]phenol is sourced from PubChem (CID 177097226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).