diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane

C36H44O2Si — CID 177480590

IUPACdiethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
SMILESCC[Si](CC)(c1ccc(-c2cccc(OCC(C)C)c2)cc1)c1ccc(-c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C36H44O2Si/c1-7-39(8-2,35-19-15-29(16-20-35)31-11-9-13-33(23-31)37-25-27(3)4)36-21-17-30(18-22-36)32-12-10-14-34(24-32)38-26-28(5)6/h9-24,27-28H,7-8,25-26H2,1-6H3
InChIKeyUWBNUOTXEHYSDS-UHFFFAOYSA-N
MW536.83 g/mol
LogP8.69
Rot. Bonds12

About diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane

diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane (PubChem CID 177480590) has the molecular formula C36H44O2Si and a molecular weight of 536.83 g/mol. Its IUPAC name is diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane.

Molecular Properties

Compound Namediethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
PubChem CID177480590
Molecular FormulaC36H44O2Si
Molecular Weight536.83 g/mol
Exact Mass536.31
IUPAC Namediethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
SMILESCC[Si](CC)(c1ccc(-c2cccc(OCC(C)C)c2)cc1)c1ccc(-c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C36H44O2Si/c1-7-39(8-2,35-19-15-29(16-20-35)31-11-9-13-33(23-31)37-25-27(3)4)36-21-17-30(18-22-36)32-12-10-14-34(24-32)38-26-28(5)6/h9-24,27-28H,7-8,25-26H2,1-6H3
InChIKeyUWBNUOTXEHYSDS-UHFFFAOYSA-N
XLogP8.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.83
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
1-buta-1,3-diynyl-4-[3-(2-methylpropoxy)phenyl]benzene
CID 139636207
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 164606887
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
CID 97434347
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864

Frequently Asked Questions

What is the IUPAC name of diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane?
The IUPAC name of diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane (CID 177480590) is diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane.
What is the SMILES notation for diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane?
The canonical SMILES for diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane is CC[Si](CC)(c1ccc(-c2cccc(OCC(C)C)c2)cc1)c1ccc(-c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane?
The InChIKey is UWBNUOTXEHYSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44O2Si/c1-7-39(8-2,35-19-15-29(16-20-35)31-11-9-13-33(23-31)37-25-27(3)4)36-21-17-30(18-22-36)32-12-10-14-34(24-32)38-26-28(5)6/h9-24,27-28H,7-8,25-26H2,1-6H3.
What are the key properties of diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane?
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane has a molecular weight of 536.83 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane is sourced from PubChem (CID 177480590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).