[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane

C16H27N3Si — CID 135040850

IUPAC[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane
SMILESCC(C)(C)[Si](C)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C
InChIInChI=1S/C16H27N3Si/c1-15(2,3)20(7,16(4,5)6)14-10-8-13(9-11-14)12-18-19-17/h8-11H,12H2,1-7H3
InChIKeyYHSYVSXYBZFOEQ-UHFFFAOYSA-N
MW289.50 g/mol
LogP5.38
Rot. Bonds3

About [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane

[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane (PubChem CID 135040850) has the molecular formula C16H27N3Si and a molecular weight of 289.50 g/mol. Its IUPAC name is [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane.

Molecular Properties

Compound Name[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane
PubChem CID135040850
Molecular FormulaC16H27N3Si
Molecular Weight289.50 g/mol
Exact Mass289.20
IUPAC Name[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane
SMILESCC(C)(C)[Si](C)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C
InChIInChI=1S/C16H27N3Si/c1-15(2,3)20(7,16(4,5)6)14-10-8-13(9-11-14)12-18-19-17/h8-11H,12H2,1-7H3
InChIKeyYHSYVSXYBZFOEQ-UHFFFAOYSA-N
XLogP5.38
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Benzyl azide
CID 12152
Silanamine, N-(phenylmethyl)-N,1,1,1-tetramethyl-
CID 26949
N-Benzyltrimethylsilylamine
CID 519016
{4-[2-(Trimethylsilyl)ethynyl]phenyl}methanamine
CID 16124720
N-Benzyl-N-(trimethylsilylmethyl)aminoacetonitrile
CID 560960
N-Benzyl-1-(trimethylsilyl)-N-((trimethylsilyl)methyl)methanamine
CID 11832796
1-(Azidomethyl)-3-methylbenzene
CID 2736816
3-Trimethylsilylbenzylguanidine
CID 134015
1,4-Bis(azidomethyl)benzene
CID 4317837
[4-(Azidomethyl)phenyl]-ditert-butyl-fluorosilane
CID 135018093
[(1R)-1-azidoethyl]benzene
CID 10877270
1-Phenylethyl azide
CID 569726

Frequently Asked Questions

What is the IUPAC name of [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane?
The IUPAC name of [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane (CID 135040850) is [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane.
What is the SMILES notation for [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane?
The canonical SMILES for [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane is CC(C)(C)[Si](C)(c1ccc(CN=[N+]=[N-])cc1)C(C)(C)C.
What is the InChIKey of [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane?
The InChIKey is YHSYVSXYBZFOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3Si/c1-15(2,3)20(7,16(4,5)6)14-10-8-13(9-11-14)12-18-19-17/h8-11H,12H2,1-7H3.
What are the key properties of [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane?
[4-(azidomethyl)phenyl]-ditert-butyl-methylsilane has a molecular weight of 289.50 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azidomethyl)phenyl]-ditert-butyl-methylsilane is sourced from PubChem (CID 135040850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).