methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate

C27H30O2Si — CID 11796091

IUPACmethyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate
SMILESC/C=C(/C)C[Si](c1ccccc1)(c1ccccc1)C(CC(=O)OC)c1ccccc1
InChIInChI=1S/C27H30O2Si/c1-4-22(2)21-30(24-16-10-6-11-17-24,25-18-12-7-13-19-25)26(20-27(28)29-3)23-14-8-5-9-15-23/h4-19,26H,20-21H2,1-3H3/b22-4-
InChIKeyVFFFKDYSOQUKTC-OZDWGKQUSA-N
MW414.62 g/mol
LogP5.10
Rot. Bonds8

About methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate

methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate (PubChem CID 11796091) has the molecular formula C27H30O2Si and a molecular weight of 414.62 g/mol. Its IUPAC name is methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate
PubChem CID11796091
Molecular FormulaC27H30O2Si
Molecular Weight414.62 g/mol
Exact Mass414.20
IUPAC Namemethyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate
SMILESC/C=C(/C)C[Si](c1ccccc1)(c1ccccc1)C(CC(=O)OC)c1ccccc1
InChIInChI=1S/C27H30O2Si/c1-4-22(2)21-30(24-16-10-6-11-17-24,25-18-12-7-13-19-25)26(20-27(28)29-3)23-14-8-5-9-15-23/h4-19,26H,20-21H2,1-3H3/b22-4-
InChIKeyVFFFKDYSOQUKTC-OZDWGKQUSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.62
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate (CID 11796091) is methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate is C/C=C(/C)C[Si](c1ccccc1)(c1ccccc1)C(CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate?
The InChIKey is VFFFKDYSOQUKTC-OZDWGKQUSA-N. The full InChI is InChI=1S/C27H30O2Si/c1-4-22(2)21-30(24-16-10-6-11-17-24,25-18-12-7-13-19-25)26(20-27(28)29-3)23-14-8-5-9-15-23/h4-19,26H,20-21H2,1-3H3/b22-4-.
What are the key properties of methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate?
methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate has a molecular weight of 414.62 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate is sourced from PubChem (CID 11796091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).