1-azidobutyl(trimethoxy)silane

C7H17N3O3Si — CID 152514280

IUPAC1-azidobutyl(trimethoxy)silane
SMILESCCCC(N=[N+]=[N-])[Si](OC)(OC)OC
InChIInChI=1S/C7H17N3O3Si/c1-5-6-7(9-10-8)14(11-2,12-3)13-4/h7H,5-6H2,1-4H3
InChIKeyYGDXUASBISCICK-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.88
Rot. Bonds7

About 1-azidobutyl(trimethoxy)silane

1-azidobutyl(trimethoxy)silane (PubChem CID 152514280) has the molecular formula C7H17N3O3Si and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-azidobutyl(trimethoxy)silane.

Molecular Properties

Compound Name1-azidobutyl(trimethoxy)silane
PubChem CID152514280
Molecular FormulaC7H17N3O3Si
Molecular Weight219.32 g/mol
Exact Mass219.10
IUPAC Name1-azidobutyl(trimethoxy)silane
SMILESCCCC(N=[N+]=[N-])[Si](OC)(OC)OC
InChIInChI=1S/C7H17N3O3Si/c1-5-6-7(9-10-8)14(11-2,12-3)13-4/h7H,5-6H2,1-4H3
InChIKeyYGDXUASBISCICK-UHFFFAOYSA-N
XLogP1.88
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
CID 173017912
1,3-diazidohexoxy(trimethyl)silane
CID 16744580
1,4-bis(1-azidobutoxy)benzene
CID 173492765
6,7-diazidododecane
CID 122603304
methyl 2-azidohexanoate
CID 22742063
1-azidooctadecyl formate
CID 18522841
azido-fluoro-methoxymethane
CID 150506437
3-azidopentane
CID 19966832
(2S)-2-azidononane
CID 102115708
trimethoxy(4-methylheptyl)silane
CID 23534240
(2R)-2-azidohexadecane
CID 174670947
(2R,3S)-2-azido-3-hydroxyhexanoic acid
CID 101025142

Frequently Asked Questions

What is the IUPAC name of 1-azidobutyl(trimethoxy)silane?
The IUPAC name of 1-azidobutyl(trimethoxy)silane (CID 152514280) is 1-azidobutyl(trimethoxy)silane.
What is the SMILES notation for 1-azidobutyl(trimethoxy)silane?
The canonical SMILES for 1-azidobutyl(trimethoxy)silane is CCCC(N=[N+]=[N-])[Si](OC)(OC)OC.
What is the InChIKey of 1-azidobutyl(trimethoxy)silane?
The InChIKey is YGDXUASBISCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3Si/c1-5-6-7(9-10-8)14(11-2,12-3)13-4/h7H,5-6H2,1-4H3.
What are the key properties of 1-azidobutyl(trimethoxy)silane?
1-azidobutyl(trimethoxy)silane has a molecular weight of 219.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidobutyl(trimethoxy)silane is sourced from PubChem (CID 152514280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).