(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate

C15H15Cl3O4Si — CID 171535388

IUPAC(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
SMILESC=CC(=O)OCCC(OC(=O)C=C)(c1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3O4Si/c1-3-13(19)21-11-10-15(23(16,17)18,22-14(20)4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyHIVVYYBDTYHBLW-UHFFFAOYSA-N
MW393.73 g/mol
LogP3.92
Rot. Bonds8

About (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate

(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate (PubChem CID 171535388) has the molecular formula C15H15Cl3O4Si and a molecular weight of 393.73 g/mol. Its IUPAC name is (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
PubChem CID171535388
Molecular FormulaC15H15Cl3O4Si
Molecular Weight393.73 g/mol
Exact Mass391.98
IUPAC Name(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
SMILESC=CC(=O)OCCC(OC(=O)C=C)(c1ccccc1)[Si](Cl)(Cl)Cl
InChIInChI=1S/C15H15Cl3O4Si/c1-3-13(19)21-11-10-15(23(16,17)18,22-14(20)4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyHIVVYYBDTYHBLW-UHFFFAOYSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.73
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzyl acetate
CID 8785
Benzyl tiglate
CID 250096
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Benzyl crotonate, (E)-
CID 5356259
Benzyl methacrylate
CID 17236
2-Butenoic acid, phenylmethyl ester
CID 97885
1-Phenylpropyl acetate
CID 101134
Benzyl acrylate
CID 75617
1,2-Ethanediol, 1-phenyl-, 1,2-diacetate
CID 95008
Benzenemethanol, alpha-ethenyl-, 1-acetate
CID 111277
2-Butenoic acid, 3-methyl-, phenylmethyl ester
CID 162264

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate?
The IUPAC name of (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate (CID 171535388) is (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate.
What is the SMILES notation for (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate?
The canonical SMILES for (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate is C=CC(=O)OCCC(OC(=O)C=C)(c1ccccc1)[Si](Cl)(Cl)Cl.
What is the InChIKey of (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate?
The InChIKey is HIVVYYBDTYHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3O4Si/c1-3-13(19)21-11-10-15(23(16,17)18,22-14(20)4-2)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate?
(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate has a molecular weight of 393.73 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate is sourced from PubChem (CID 171535388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).