2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol

C29H43NO2Si — CID 70117060

IUPAC2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
SMILESCC(C)C(C)(C)[Si](C)(C)OCC(c1ccccc1)N1CC=CCC1CC(O)c1ccccc1
InChIInChI=1S/C29H43NO2Si/c1-23(2)29(3,4)33(5,6)32-22-27(24-15-9-7-10-16-24)30-20-14-13-19-26(30)21-28(31)25-17-11-8-12-18-25/h7-18,23,26-28,31H,19-22H2,1-6H3
InChIKeySMVXPHKUTUKJCE-UHFFFAOYSA-N
MW465.75 g/mol
LogP7.14
Rot. Bonds10

About 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol

2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol (PubChem CID 70117060) has the molecular formula C29H43NO2Si and a molecular weight of 465.75 g/mol. Its IUPAC name is 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
PubChem CID70117060
Molecular FormulaC29H43NO2Si
Molecular Weight465.75 g/mol
Exact Mass465.31
IUPAC Name2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
SMILESCC(C)C(C)(C)[Si](C)(C)OCC(c1ccccc1)N1CC=CCC1CC(O)c1ccccc1
InChIInChI=1S/C29H43NO2Si/c1-23(2)29(3,4)33(5,6)32-22-27(24-15-9-7-10-16-24)30-20-14-13-19-26(30)21-28(31)25-17-11-8-12-18-25/h7-18,23,26-28,31H,19-22H2,1-6H3
InChIKeySMVXPHKUTUKJCE-UHFFFAOYSA-N
XLogP7.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.75
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The IUPAC name of 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol (CID 70117060) is 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol.
What is the SMILES notation for 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The canonical SMILES for 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol is CC(C)C(C)(C)[Si](C)(C)OCC(c1ccccc1)N1CC=CCC1CC(O)c1ccccc1.
What is the InChIKey of 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
The InChIKey is SMVXPHKUTUKJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO2Si/c1-23(2)29(3,4)33(5,6)32-22-27(24-15-9-7-10-16-24)30-20-14-13-19-26(30)21-28(31)25-17-11-8-12-18-25/h7-18,23,26-28,31H,19-22H2,1-6H3.
What are the key properties of 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol?
2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol has a molecular weight of 465.75 g/mol, XLogP of 7.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol is sourced from PubChem (CID 70117060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).