tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane

C24H36OSi — CID 156599707

IUPACtert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane
SMILESCc1ccc(C(C)(CCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C24H36OSi/c1-20-13-15-22(16-14-20)24(5,19-21-11-9-8-10-12-21)17-18-25-26(6,7)23(2,3)4/h8-16H,17-19H2,1-7H3
InChIKeyYQPKZRRFXFCYAZ-UHFFFAOYSA-N
MW368.64 g/mol
LogP6.91
Rot. Bonds7

About tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane

tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane (PubChem CID 156599707) has the molecular formula C24H36OSi and a molecular weight of 368.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane
PubChem CID156599707
Molecular FormulaC24H36OSi
Molecular Weight368.64 g/mol
Exact Mass368.25
IUPAC Nametert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane
SMILESCc1ccc(C(C)(CCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1
InChIInChI=1S/C24H36OSi/c1-20-13-15-22(16-14-20)24(5,19-21-11-9-8-10-12-21)17-18-25-26(6,7)23(2,3)4/h8-16H,17-19H2,1-7H3
InChIKeyYQPKZRRFXFCYAZ-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.64
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane (CID 156599707) is tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane is Cc1ccc(C(C)(CCO[Si](C)(C)C(C)(C)C)Cc2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane?
The InChIKey is YQPKZRRFXFCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36OSi/c1-20-13-15-22(16-14-20)24(5,19-21-11-9-8-10-12-21)17-18-25-26(6,7)23(2,3)4/h8-16H,17-19H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane?
tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane has a molecular weight of 368.64 g/mol, XLogP of 6.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-methyl-3-(4-methylphenyl)-4-phenylbutoxy]silane is sourced from PubChem (CID 156599707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).