methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate

C20H24O2Si — CID 10358911

IUPACmethyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
SMILESCOC(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(16-15-19(21)22-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/b16-15+
InChIKeyGOPZAQYTJGMVBL-FOCLMDBBSA-N
MW324.50 g/mol
LogP3.32
Rot. Bonds4

About methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate

methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate (PubChem CID 10358911) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
PubChem CID10358911
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Namemethyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate
SMILESCOC(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H24O2Si/c1-20(2,3)23(16-15-19(21)22-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/b16-15+
InChIKeyGOPZAQYTJGMVBL-FOCLMDBBSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate (CID 10358911) is methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate is COC(=O)/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate?
The InChIKey is GOPZAQYTJGMVBL-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-20(2,3)23(16-15-19(21)22-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3/b16-15+.
What are the key properties of methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate?
methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate has a molecular weight of 324.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[tert-butyl(diphenyl)silyl]prop-2-enoate is sourced from PubChem (CID 10358911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).