4-[butoxy(dimethyl)silyl]butyl prop-2-enoate

C13H26O3Si — CID 151407339

IUPAC4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](C)(C)OCCCC
InChIInChI=1S/C13H26O3Si/c1-5-7-11-16-17(3,4)12-9-8-10-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyOXTUYYLUNVISAE-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.52
Rot. Bonds10

About 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate

4-[butoxy(dimethyl)silyl]butyl prop-2-enoate (PubChem CID 151407339) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
PubChem CID151407339
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name4-[butoxy(dimethyl)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](C)(C)OCCCC
InChIInChI=1S/C13H26O3Si/c1-5-7-11-16-17(3,4)12-9-8-10-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyOXTUYYLUNVISAE-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate 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

3-[butoxy(dimethyl)silyl]propyl prop-2-enoate
CID 142550479
4-[dibutoxy(4-prop-2-enoyloxybutoxy)silyl]oxybutyl prop-2-enoate
CID 139621276
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
3-[butoxy(diethyl)silyl]propyl prop-2-enoate
CID 152603215
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate?
The IUPAC name of 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate (CID 151407339) is 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate.
What is the SMILES notation for 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate?
The canonical SMILES for 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate is C=CC(=O)OCCCC[Si](C)(C)OCCCC.
What is the InChIKey of 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate?
The InChIKey is OXTUYYLUNVISAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-5-7-11-16-17(3,4)12-9-8-10-15-13(14)6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate?
4-[butoxy(dimethyl)silyl]butyl prop-2-enoate has a molecular weight of 258.43 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butoxy(dimethyl)silyl]butyl prop-2-enoate is sourced from PubChem (CID 151407339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).