[dodecyl(phenyl)silyl] prop-2-enoate

C21H34O2Si — CID 123891276

IUPAC[dodecyl(phenyl)silyl] prop-2-enoate
SMILESC=CC(=O)O[SiH](CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C21H34O2Si/c1-3-5-6-7-8-9-10-11-12-16-19-24(23-21(22)4-2)20-17-14-13-15-18-20/h4,13-15,17-18,24H,2-3,5-12,16,19H2,1H3
InChIKeyWUIFDDNISQRPCL-UHFFFAOYSA-N
MW346.59 g/mol
LogP5.27
Rot. Bonds14

About [dodecyl(phenyl)silyl] prop-2-enoate

[dodecyl(phenyl)silyl] prop-2-enoate (PubChem CID 123891276) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is [dodecyl(phenyl)silyl] prop-2-enoate.

Molecular Properties

Compound Name[dodecyl(phenyl)silyl] prop-2-enoate
PubChem CID123891276
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Name[dodecyl(phenyl)silyl] prop-2-enoate
SMILESC=CC(=O)O[SiH](CCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C21H34O2Si/c1-3-5-6-7-8-9-10-11-12-16-19-24(23-21(22)4-2)20-17-14-13-15-18-20/h4,13-15,17-18,24H,2-3,5-12,16,19H2,1H3
InChIKeyWUIFDDNISQRPCL-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 55.27
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 [dodecyl(phenyl)silyl] 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

5-[methoxy(phenyl)silyl]pentyl prop-2-enoate
CID 175438813
styrene;tridecyl prop-2-enoate
CID 70120047
(1-tridecylpyridin-1-ium-2-yl) prop-2-enoate bromide
CID 158966140
hexyl(diphenyl)silane
CID 15142320
diphenylsilyl octadecanoate
CID 123727369
docosan-11-yl prop-2-enoate;styrene
CID 175112193
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
2-(2-nonylphenyl)ethyl prop-2-enoate
CID 67822598
hexyl-methyl-phenylsilane
CID 14945725
benzyl prop-2-enoate;(Z)-but-2-enedioic acid;hexyl prop-2-enoate
CID 70274050
bis(butyl prop-2-enoate);styrene
CID 175337841
butyl prop-2-enoate;styrene
CID 68545727

Frequently Asked Questions

What is the IUPAC name of [dodecyl(phenyl)silyl] prop-2-enoate?
The IUPAC name of [dodecyl(phenyl)silyl] prop-2-enoate (CID 123891276) is [dodecyl(phenyl)silyl] prop-2-enoate.
What is the SMILES notation for [dodecyl(phenyl)silyl] prop-2-enoate?
The canonical SMILES for [dodecyl(phenyl)silyl] prop-2-enoate is C=CC(=O)O[SiH](CCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of [dodecyl(phenyl)silyl] prop-2-enoate?
The InChIKey is WUIFDDNISQRPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-3-5-6-7-8-9-10-11-12-16-19-24(23-21(22)4-2)20-17-14-13-15-18-20/h4,13-15,17-18,24H,2-3,5-12,16,19H2,1H3.
What are the key properties of [dodecyl(phenyl)silyl] prop-2-enoate?
[dodecyl(phenyl)silyl] prop-2-enoate has a molecular weight of 346.59 g/mol, XLogP of 5.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dodecyl(phenyl)silyl] prop-2-enoate is sourced from PubChem (CID 123891276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).