[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane

C28H41N3OSi — CID 134997894

IUPAC[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane
SMILESC=CCC(Oc1ccccc1)(n1nnc2ccccc21)[Si](C)(C)CCCCCCCCCC
InChIInChI=1S/C28H41N3OSi/c1-5-7-8-9-10-11-12-18-24-33(3,4)28(23-6-2,32-25-19-14-13-15-20-25)31-27-22-17-16-21-26(27)29-30-31/h6,13-17,19-22H,2,5,7-12,18,23-24H2,1,3-4H3
InChIKeyPNUSBFSIARGRBS-UHFFFAOYSA-N
MW463.74 g/mol
LogP8.13
Rot. Bonds15

About [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane

[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane (PubChem CID 134997894) has the molecular formula C28H41N3OSi and a molecular weight of 463.74 g/mol. Its IUPAC name is [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane.

Molecular Properties

Compound Name[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane
PubChem CID134997894
Molecular FormulaC28H41N3OSi
Molecular Weight463.74 g/mol
Exact Mass463.30
IUPAC Name[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane
SMILESC=CCC(Oc1ccccc1)(n1nnc2ccccc21)[Si](C)(C)CCCCCCCCCC
InChIInChI=1S/C28H41N3OSi/c1-5-7-8-9-10-11-12-18-24-33(3,4)28(23-6-2,32-25-19-14-13-15-20-25)31-27-22-17-16-21-26(27)29-30-31/h6,13-17,19-22H,2,5,7-12,18,23-24H2,1,3-4H3
InChIKeyPNUSBFSIARGRBS-UHFFFAOYSA-N
XLogP8.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.74
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(8-ethenylpentadecan-8-yl)benzotriazole
CID 5197931
2-(benzotriazol-1-yl)-2-phenoxydodecan-3-one
CID 3767710
1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
CID 10708118
1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
CID 3772019
(E)-6-(benzotriazol-1-yl)-6-ethoxytetradec-4-en-7-one
CID 10571281
3-(benzotriazol-1-yl)-5-butoxy-2-methyl-3-phenoxy-5-phenylpentan-2-ol
CID 3786477
1-(1-phenoxyhexyl)benzotriazole
CID 3453762
benzotriazol-1-yl-bis(4-octylphenyl)methanamine
CID 155230048
1-tridecylbenzotriazole
CID 21059042
2-[2-(benzotriazol-1-yl)decan-2-yl]-1,3-benzoxazole
CID 3709135
1-(benzotriazol-1-yl)-N-dodecylmethanimine
CID 175138281
benzotriazol-1-yl-butyl-dimethylsilane
CID 69051980

Frequently Asked Questions

What is the IUPAC name of [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane?
The IUPAC name of [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane (CID 134997894) is [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane.
What is the SMILES notation for [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane?
The canonical SMILES for [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane is C=CCC(Oc1ccccc1)(n1nnc2ccccc21)[Si](C)(C)CCCCCCCCCC.
What is the InChIKey of [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane?
The InChIKey is PNUSBFSIARGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3OSi/c1-5-7-8-9-10-11-12-18-24-33(3,4)28(23-6-2,32-25-19-14-13-15-20-25)31-27-22-17-16-21-26(27)29-30-31/h6,13-17,19-22H,2,5,7-12,18,23-24H2,1,3-4H3.
What are the key properties of [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane?
[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane has a molecular weight of 463.74 g/mol, XLogP of 8.13, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane is sourced from PubChem (CID 134997894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).