2-trimethylsilylethyl N-diazocarbamate

C6H13N3O2Si — CID 11106088

IUPAC2-trimethylsilylethyl N-diazocarbamate
SMILESC[Si](C)(C)CCOC(=O)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O2Si/c1-12(2,3)5-4-11-6(10)8-9-7/h4-5H2,1-3H3
InChIKeyUTEIWCAWHZBUGT-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.77
Rot. Bonds3

About 2-trimethylsilylethyl N-diazocarbamate

2-trimethylsilylethyl N-diazocarbamate (PubChem CID 11106088) has the molecular formula C6H13N3O2Si and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-diazocarbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-diazocarbamate
PubChem CID11106088
Molecular FormulaC6H13N3O2Si
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name2-trimethylsilylethyl N-diazocarbamate
SMILESC[Si](C)(C)CCOC(=O)N=[N+]=[N-]
InChIInChI=1S/C6H13N3O2Si/c1-12(2,3)5-4-11-6(10)8-9-7/h4-5H2,1-3H3
InChIKeyUTEIWCAWHZBUGT-UHFFFAOYSA-N
XLogP2.77
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.77
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'}

Analyze 2-trimethylsilylethyl N-diazocarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadecyl N-diazocarbamate
CID 13247383
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
2-oxo-2-(2-trimethylsilylethoxy)acetic acid
CID 54505064
[2-oxo-2-(2-trimethylsilylethoxy)ethyl]azaniumylideneazanide
CID 140747628
2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
CID 21244454
3,4,5,6-tetrabromo-1,2-bis(2-carbonazidoyloxyethyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 118119990
2-trimethylsilylethyl 2-diazo-2-phenylacetate
CID 132605238
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
2-trimethylsilylethoxycarbonylcarbamic acid
CID 88923285
2-(2-hydroxy-3-methyl-5-oxo-2H-pyrrol-1-yl)ethyl N-diazocarbamate
CID 123446942
2-ethylhexyl N-diazocarbamate
CID 139795572
2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-diazocarbamate?
The IUPAC name of 2-trimethylsilylethyl N-diazocarbamate (CID 11106088) is 2-trimethylsilylethyl N-diazocarbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-diazocarbamate?
The canonical SMILES for 2-trimethylsilylethyl N-diazocarbamate is C[Si](C)(C)CCOC(=O)N=[N+]=[N-].
What is the InChIKey of 2-trimethylsilylethyl N-diazocarbamate?
The InChIKey is UTEIWCAWHZBUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2Si/c1-12(2,3)5-4-11-6(10)8-9-7/h4-5H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl N-diazocarbamate?
2-trimethylsilylethyl N-diazocarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-diazocarbamate is sourced from PubChem (CID 11106088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).