1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol

C9H17N3O2Si — CID 175427651

IUPAC1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol
SMILESC#CC(OC(N=[N+]=[N-])C(C)O)[Si](C)(C)C
InChIInChI=1S/C9H17N3O2Si/c1-6-8(15(3,4)5)14-9(7(2)13)11-12-10/h1,7-9,13H,2-5H3
InChIKeyWVKMRIOTJLKRPE-UHFFFAOYSA-N
MW227.34 g/mol
LogP1.90
Rot. Bonds5

About 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol

1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol (PubChem CID 175427651) has the molecular formula C9H17N3O2Si and a molecular weight of 227.34 g/mol. Its IUPAC name is 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol.

Molecular Properties

Compound Name1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol
PubChem CID175427651
Molecular FormulaC9H17N3O2Si
Molecular Weight227.34 g/mol
Exact Mass227.11
IUPAC Name1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol
SMILESC#CC(OC(N=[N+]=[N-])C(C)O)[Si](C)(C)C
InChIInChI=1S/C9H17N3O2Si/c1-6-8(15(3,4)5)14-9(7(2)13)11-12-10/h1,7-9,13H,2-5H3
InChIKeyWVKMRIOTJLKRPE-UHFFFAOYSA-N
XLogP1.90
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol?
The IUPAC name of 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol (CID 175427651) is 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol.
What is the SMILES notation for 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol?
The canonical SMILES for 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol is C#CC(OC(N=[N+]=[N-])C(C)O)[Si](C)(C)C.
What is the InChIKey of 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol?
The InChIKey is WVKMRIOTJLKRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2Si/c1-6-8(15(3,4)5)14-9(7(2)13)11-12-10/h1,7-9,13H,2-5H3.
What are the key properties of 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol?
1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol has a molecular weight of 227.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-1-(1-trimethylsilylprop-2-ynoxy)propan-2-ol is sourced from PubChem (CID 175427651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).