4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate

C11H22O5SSi — CID 175418228

IUPAC4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate
SMILESCO[Si](CCCCOC(=O)C1(C)CS1)(OC)OC
InChIInChI=1S/C11H22O5SSi/c1-11(9-17-11)10(12)16-7-5-6-8-18(13-2,14-3)15-4/h5-9H2,1-4H3
InChIKeyDIJJQCQMXUQWGX-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.69
Rot. Bonds9

About 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate

4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate (PubChem CID 175418228) has the molecular formula C11H22O5SSi and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate.

Molecular Properties

Compound Name4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate
PubChem CID175418228
Molecular FormulaC11H22O5SSi
Molecular Weight294.44 g/mol
Exact Mass294.10
IUPAC Name4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate
SMILESCO[Si](CCCCOC(=O)C1(C)CS1)(OC)OC
InChIInChI=1S/C11H22O5SSi/c1-11(9-17-11)10(12)16-7-5-6-8-18(13-2,14-3)15-4/h5-9H2,1-4H3
InChIKeyDIJJQCQMXUQWGX-UHFFFAOYSA-N
XLogP1.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.69
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'}

Analyze 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate 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

2-hydroxyethyl 2-methylthiirane-2-carboxylate
CID 87726949
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
3-trimethoxysilylpropyl N-ethylcarbamate
CID 141299564
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
6-trimethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 58280983
6-trimethoxysilylhexylurea
CID 87148927
hexyl 4-methyldithiolane-4-carboxylate
CID 45111591
N-(3-trimethoxysilylpropyl)carbamate
CID 19019611
4-trimethoxysilylbutylcarbamic acid
CID 18755644
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
16-trimethoxysilylhexadecan-1-ol
CID 87683754

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate?
The IUPAC name of 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate (CID 175418228) is 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate.
What is the SMILES notation for 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate?
The canonical SMILES for 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate is CO[Si](CCCCOC(=O)C1(C)CS1)(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate?
The InChIKey is DIJJQCQMXUQWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5SSi/c1-11(9-17-11)10(12)16-7-5-6-8-18(13-2,14-3)15-4/h5-9H2,1-4H3.
What are the key properties of 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate?
4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 1.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutyl 2-methylthiirane-2-carboxylate is sourced from PubChem (CID 175418228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).