benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

C34H43NO3Si — CID 66593725

IUPACbenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1=C(c2cccc(-c3ccccc3)c2)CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C34H43NO3Si/c1-7-27-23-35(33(36)37-24-26-15-10-8-11-16-26)31(25-38-39(5,6)34(2,3)4)22-32(27)30-20-14-19-29(21-30)28-17-12-9-13-18-28/h8-21,31H,7,22-25H2,1-6H3
InChIKeyLISPPIIAHNMXSW-UHFFFAOYSA-N
MW541.81 g/mol
LogP8.95
Rot. Bonds8

About benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 66593725) has the molecular formula C34H43NO3Si and a molecular weight of 541.81 g/mol. Its IUPAC name is benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID66593725
Molecular FormulaC34H43NO3Si
Molecular Weight541.81 g/mol
Exact Mass541.30
IUPAC Namebenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCC1=C(c2cccc(-c3ccccc3)c2)CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C34H43NO3Si/c1-7-27-23-35(33(36)37-24-26-15-10-8-11-16-26)31(25-38-39(5,6)34(2,3)4)22-32(27)30-20-14-19-29(21-30)28-17-12-9-13-18-28/h8-21,31H,7,22-25H2,1-6H3
InChIKeyLISPPIIAHNMXSW-UHFFFAOYSA-N
XLogP8.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.81
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 66593725) is benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is CCC1=C(c2cccc(-c3ccccc3)c2)CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is LISPPIIAHNMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43NO3Si/c1-7-27-23-35(33(36)37-24-26-15-10-8-11-16-26)31(25-38-39(5,6)34(2,3)4)22-32(27)30-20-14-19-29(21-30)28-17-12-9-13-18-28/h8-21,31H,7,22-25H2,1-6H3.
What are the key properties of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 541.81 g/mol, XLogP of 8.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 66593725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).