methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate

C35H46O3SiSn — CID 15681861

IUPACmethyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
SMILESCCCC[Sn](/C=C(\C(=O)OC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C23H19O3Si.3C4H9.Sn/c1-18(22(24)26-2)23(25)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3*1-3-4-2;/h1,3-17H,2H3;3*1,3-4H2,2H3;
InChIKeyBHQBWECIVFKKJS-UHFFFAOYSA-N
MW661.55 g/mol
LogP6.75
Rot. Bonds16

About methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate

methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate (PubChem CID 15681861) has the molecular formula C35H46O3SiSn and a molecular weight of 661.55 g/mol. Its IUPAC name is methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
PubChem CID15681861
Molecular FormulaC35H46O3SiSn
Molecular Weight661.55 g/mol
Exact Mass662.22
IUPAC Namemethyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate
SMILESCCCC[Sn](/C=C(\C(=O)OC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C23H19O3Si.3C4H9.Sn/c1-18(22(24)26-2)23(25)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3*1-3-4-2;/h1,3-17H,2H3;3*1,3-4H2,2H3;
InChIKeyBHQBWECIVFKKJS-UHFFFAOYSA-N
XLogP6.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.55
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
CID 10358911
1-[(Methacryloyloxy)methyl]-dimethyl,3,3,3-triphenyldisiloxane
CID 20267291
(E,2E)-2-(tributylstannylmethylidene)-1-triphenylsilylpent-3-en-1-one
CID 15681860
methyl (2E,4Z)-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhexa-2,4-dienoate
CID 44632186
methyl (E)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]but-2-enoate
CID 53492770
2-Triphenylsilylthioethyl methacrylate
CID 102034522
[(Methacryloyloxy)methyl]trimethyl-3,3-diphenyldisiloxane
CID 129806695
1-[(Methacryloyloxy)methyl]trimethyl-3,3-diphenyldisiloxane
CID 129806705
3-[(Methacryloyloxy)methyl]pentamethyl-1,5-diphenyltrisiloxane
CID 129806755
methyl (E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enoate
CID 134889280
methyl (Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethyl)-3-methylbut-2-enoate
CID 134937787
3-[Dimethyl(triphenylsilyloxy)silyl]propyl 2-methylprop-2-enoate
CID 11476705

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate?
The IUPAC name of methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate (CID 15681861) is methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate?
The canonical SMILES for methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate is CCCC[Sn](/C=C(\C(=O)OC)C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate?
The InChIKey is BHQBWECIVFKKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O3Si.3C4H9.Sn/c1-18(22(24)26-2)23(25)27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;3*1-3-4-2;/h1,3-17H,2H3;3*1,3-4H2,2H3;.
What are the key properties of methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate?
methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate has a molecular weight of 661.55 g/mol, XLogP of 6.75, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-tributylstannyl-2-triphenylsilylcarbonylprop-2-enoate is sourced from PubChem (CID 15681861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).