3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate

C13H27NO5Si — CID 59135525

IUPAC3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate
SMILESCO[Si](CCCOC(=O)C(C)CN1CC1C)(OC)OC
InChIInChI=1S/C13H27NO5Si/c1-11(9-14-10-12(14)2)13(15)19-7-6-8-20(16-3,17-4)18-5/h11-12H,6-10H2,1-5H3
InChIKeyYWWGNAQKPKXAEQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.14
Rot. Bonds10

About 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate

3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate (PubChem CID 59135525) has the molecular formula C13H27NO5Si and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate
PubChem CID59135525
Molecular FormulaC13H27NO5Si
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate
SMILESCO[Si](CCCOC(=O)C(C)CN1CC1C)(OC)OC
InChIInChI=1S/C13H27NO5Si/c1-11(9-14-10-12(14)2)13(15)19-7-6-8-20(16-3,17-4)18-5/h11-12H,6-10H2,1-5H3
InChIKeyYWWGNAQKPKXAEQ-UHFFFAOYSA-N
XLogP1.14
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate
CID 123779054
1-O-(2-methoxyethyl) 6-O-(3-trimethoxysilylpropyl) 2-ethyl-5-methyl-3-oxohexanedioate
CID 166503986
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
2-(aziridin-1-yl)ethyl 2-methyl-3-(3-trimethoxysilylpropylsulfanyl)propanoate
CID 54298618
6-[2-(2-methylaziridin-1-yl)propanoyloxy]hexyl 2-(2-methylaziridin-1-yl)propanoate
CID 140998578
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
1-(2,6-dimethylmorpholin-4-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90015661
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
4-methylpentyl cyclopropanecarboxylate
CID 550148

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate?
The IUPAC name of 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate (CID 59135525) is 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate?
The canonical SMILES for 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate is CO[Si](CCCOC(=O)C(C)CN1CC1C)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate?
The InChIKey is YWWGNAQKPKXAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5Si/c1-11(9-14-10-12(14)2)13(15)19-7-6-8-20(16-3,17-4)18-5/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate?
3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate has a molecular weight of 305.45 g/mol, XLogP of 1.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 2-methyl-3-(2-methylaziridin-1-yl)propanoate is sourced from PubChem (CID 59135525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).