3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate

C32H37O7PSi — CID 58085407

IUPAC3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCCCc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C32H37O7PSi/c1-4-30(33)39-23-13-25-41(37-2,38-3)24-12-11-14-26-19-21-29(22-20-26)40(36,31(34)27-15-7-5-8-16-27)32(35)28-17-9-6-10-18-28/h4-10,15-22H,1,11-14,23-25H2,2-3H3
InChIKeyWUXNRJRYNIOEIX-UHFFFAOYSA-N
MW592.70 g/mol
LogP6.53
Rot. Bonds17

About 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate

3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate (PubChem CID 58085407) has the molecular formula C32H37O7PSi and a molecular weight of 592.70 g/mol. Its IUPAC name is 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate
PubChem CID58085407
Molecular FormulaC32H37O7PSi
Molecular Weight592.70 g/mol
Exact Mass592.20
IUPAC Name3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](CCCCc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1)(OC)OC
InChIInChI=1S/C32H37O7PSi/c1-4-30(33)39-23-13-25-41(37-2,38-3)24-12-11-14-26-19-21-29(22-20-26)40(36,31(34)27-15-7-5-8-16-27)32(35)28-17-9-6-10-18-28/h4-10,15-22H,1,11-14,23-25H2,2-3H3
InChIKeyWUXNRJRYNIOEIX-UHFFFAOYSA-N
XLogP6.53
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

prop-1-ene;trimethoxy(2-phenylethyl)silane;3-trimethoxysilylpropyl prop-2-enoate
CID 159399182
4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
3-[dimethoxy(propyl)silyl]propyl prop-2-enoate
CID 21432068
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
13-[dimethoxy(propyl)silyl]tridecyl prop-2-enoate
CID 150352297
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
3-[chloromethyl(dimethoxy)silyl]propyl prop-2-enoate
CID 141320580
8-[ethyl(dimethoxy)silyl]octyl prop-2-enoate
CID 140662216
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-(2-phenylethoxy)propyl prop-2-enoate
CID 141394105
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate?
The IUPAC name of 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate (CID 58085407) is 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate?
The canonical SMILES for 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](CCCCc1ccc(P(=O)(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1)(OC)OC.
What is the InChIKey of 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate?
The InChIKey is WUXNRJRYNIOEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37O7PSi/c1-4-30(33)39-23-13-25-41(37-2,38-3)24-12-11-14-26-19-21-29(22-20-26)40(36,31(34)27-15-7-5-8-16-27)32(35)28-17-9-6-10-18-28/h4-10,15-22H,1,11-14,23-25H2,2-3H3.
What are the key properties of 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate?
3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate has a molecular weight of 592.70 g/mol, XLogP of 6.53, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-dibenzoylphosphorylphenyl)butyl-dimethoxysilyl]propyl prop-2-enoate is sourced from PubChem (CID 58085407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).