[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane

C25H35N3O2Si — CID 10694285

IUPAC[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane
SMILESC=C(CCC(CCc1ccc(C)cc1)(OCC)n1nnc2ccccc21)O[Si](C)(C)C
InChIInChI=1S/C25H35N3O2Si/c1-7-29-25(18-16-21(3)30-31(4,5)6,19-17-22-14-12-20(2)13-15-22)28-24-11-9-8-10-23(24)26-27-28/h8-15H,3,7,16-19H2,1-2,4-6H3
InChIKeyBOMFZDLSWZIBQJ-UHFFFAOYSA-N
MW437.66 g/mol
LogP6.21
Rot. Bonds11

About [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane

[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane (PubChem CID 10694285) has the molecular formula C25H35N3O2Si and a molecular weight of 437.66 g/mol. Its IUPAC name is [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane
PubChem CID10694285
Molecular FormulaC25H35N3O2Si
Molecular Weight437.66 g/mol
Exact Mass437.25
IUPAC Name[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane
SMILESC=C(CCC(CCc1ccc(C)cc1)(OCC)n1nnc2ccccc21)O[Si](C)(C)C
InChIInChI=1S/C25H35N3O2Si/c1-7-29-25(18-16-21(3)30-31(4,5)6,19-17-22-14-12-20(2)13-15-22)28-24-11-9-8-10-23(24)26-27-28/h8-15H,3,7,16-19H2,1-2,4-6H3
InChIKeyBOMFZDLSWZIBQJ-UHFFFAOYSA-N
XLogP6.21
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.66
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
CID 3772019
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CID 3849071
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
3-(benzotriazol-1-yl)-3-ethoxy-5-phenylpent-4-yn-2-one
CID 3496644
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
CID 10708118
(E)-6-(benzotriazol-1-yl)-6-ethoxytetradec-4-en-7-one
CID 10571281
benzotriazol-1-yl-bis(4-octylphenyl)methanamine
CID 155230048
2-(benzotriazol-1-yl)-2-methylpentanoic acid
CID 114993659
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748
[1-(benzotriazol-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethyl]-trimethylsilane
CID 3405189
1-[benzotriazol-1-yl-(4-methylphenyl)-phenylsulfanylmethyl]benzotriazole
CID 3839606

Frequently Asked Questions

What is the IUPAC name of [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane (CID 10694285) is [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane is C=C(CCC(CCc1ccc(C)cc1)(OCC)n1nnc2ccccc21)O[Si](C)(C)C.
What is the InChIKey of [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane?
The InChIKey is BOMFZDLSWZIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2Si/c1-7-29-25(18-16-21(3)30-31(4,5)6,19-17-22-14-12-20(2)13-15-22)28-24-11-9-8-10-23(24)26-27-28/h8-15H,3,7,16-19H2,1-2,4-6H3.
What are the key properties of [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane?
[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane has a molecular weight of 437.66 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10694285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).