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

C13H26O2Si — CID 150833638

IUPAC4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](C)(C)CC(C)C
InChIInChI=1S/C13H26O2Si/c1-6-13(14)15-9-7-8-10-16(4,5)11-12(2)3/h6,12H,1,7-11H2,2-5H3
InChIKeyKMMSSLXZWXDFET-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.86
Rot. Bonds8

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

4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate (PubChem CID 150833638) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate.

Molecular Properties

Compound Name4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
PubChem CID150833638
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
SMILESC=CC(=O)OCCCC[Si](C)(C)CC(C)C
InChIInChI=1S/C13H26O2Si/c1-6-13(14)15-9-7-8-10-16(4,5)11-12(2)3/h6,12H,1,7-11H2,2-5H3
InChIKeyKMMSSLXZWXDFET-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[dimethyl(2-methylpropyl)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

4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438
6-methylheptyl prop-2-enoate;oxirane
CID 159134071
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-trichlorosilylbutyl prop-2-enoate
CID 54422038
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415
5-trifluorosilylpentyl prop-2-enoate
CID 156681471

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate?
The IUPAC name of 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate (CID 150833638) is 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate.
What is the SMILES notation for 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate?
The canonical SMILES for 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate is C=CC(=O)OCCCC[Si](C)(C)CC(C)C.
What is the InChIKey of 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate?
The InChIKey is KMMSSLXZWXDFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-13(14)15-9-7-8-10-16(4,5)11-12(2)3/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate?
4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate has a molecular weight of 242.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate is sourced from PubChem (CID 150833638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).