methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane

C21H30O2Si — CID 140710001

IUPACmethyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCc1ccc(-c2ccccc2)cc1)OC(C)C
InChIInChI=1S/C21H30O2Si/c1-17(2)22-24(5,23-18(3)4)16-15-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3
InChIKeyQRYPXILNXQTZRH-UHFFFAOYSA-N
MW342.56 g/mol
LogP5.82
Rot. Bonds8

About methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane

methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane (PubChem CID 140710001) has the molecular formula C21H30O2Si and a molecular weight of 342.56 g/mol. Its IUPAC name is methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane.

Molecular Properties

Compound Namemethyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane
PubChem CID140710001
Molecular FormulaC21H30O2Si
Molecular Weight342.56 g/mol
Exact Mass342.20
IUPAC Namemethyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](C)(CCc1ccc(-c2ccccc2)cc1)OC(C)C
InChIInChI=1S/C21H30O2Si/c1-17(2)22-24(5,23-18(3)4)16-15-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3
InChIKeyQRYPXILNXQTZRH-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane?
The IUPAC name of methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane (CID 140710001) is methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane.
What is the SMILES notation for methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane?
The canonical SMILES for methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane is CC(C)O[Si](C)(CCc1ccc(-c2ccccc2)cc1)OC(C)C.
What is the InChIKey of methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane?
The InChIKey is QRYPXILNXQTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2Si/c1-17(2)22-24(5,23-18(3)4)16-15-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,17-18H,15-16H2,1-5H3.
What are the key properties of methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane?
methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane has a molecular weight of 342.56 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(4-phenylphenyl)ethyl]-di(propan-2-yloxy)silane is sourced from PubChem (CID 140710001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).