[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane

C13H19N3OSi — CID 150536844

IUPAC[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane
SMILESC[Si](C)(CCC(N=[N+]=[N-])C1CO1)c1ccccc1
InChIInChI=1S/C13H19N3OSi/c1-18(2,11-6-4-3-5-7-11)9-8-12(15-16-14)13-10-17-13/h3-7,12-13H,8-10H2,1-2H3
InChIKeyIFADFGLLFHOIET-UHFFFAOYSA-N
MW261.40 g/mol
LogP3.07
Rot. Bonds6

About [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane

[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane (PubChem CID 150536844) has the molecular formula C13H19N3OSi and a molecular weight of 261.40 g/mol. Its IUPAC name is [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane
PubChem CID150536844
Molecular FormulaC13H19N3OSi
Molecular Weight261.40 g/mol
Exact Mass261.13
IUPAC Name[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane
SMILESC[Si](C)(CCC(N=[N+]=[N-])C1CO1)c1ccccc1
InChIInChI=1S/C13H19N3OSi/c1-18(2,11-6-4-3-5-7-11)9-8-12(15-16-14)13-10-17-13/h3-7,12-13H,8-10H2,1-2H3
InChIKeyIFADFGLLFHOIET-UHFFFAOYSA-N
XLogP3.07
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane?
The IUPAC name of [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane (CID 150536844) is [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane.
What is the SMILES notation for [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane?
The canonical SMILES for [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane is C[Si](C)(CCC(N=[N+]=[N-])C1CO1)c1ccccc1.
What is the InChIKey of [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane?
The InChIKey is IFADFGLLFHOIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OSi/c1-18(2,11-6-4-3-5-7-11)9-8-12(15-16-14)13-10-17-13/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane?
[3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane has a molecular weight of 261.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-azido-3-(oxiran-2-yl)propyl]-dimethyl-phenylsilane is sourced from PubChem (CID 150536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).