(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane

C21H28OSi — CID 173387668

IUPAC(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CCC1
InChIInChI=1S/C21H28OSi/c1-21(2,3)20(17-11-10-12-17)22-23(18-13-6-4-7-14-18)19-15-8-5-9-16-19/h4-9,13-17,20,23H,10-12H2,1-3H3
InChIKeyQVXCOKXPYKPBFS-UHFFFAOYSA-N
MW324.54 g/mol
LogP3.76
Rot. Bonds5

About (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane

(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane (PubChem CID 173387668) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane.

Molecular Properties

Compound Name(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
PubChem CID173387668
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Name(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CCC1
InChIInChI=1S/C21H28OSi/c1-21(2,3)20(17-11-10-12-17)22-23(18-13-6-4-7-14-18)19-15-8-5-9-16-19/h4-9,13-17,20,23H,10-12H2,1-3H3
InChIKeyQVXCOKXPYKPBFS-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 53.76
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 (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane?
The IUPAC name of (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane (CID 173387668) is (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane.
What is the SMILES notation for (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane?
The canonical SMILES for (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)C1CCC1.
What is the InChIKey of (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane?
The InChIKey is QVXCOKXPYKPBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSi/c1-21(2,3)20(17-11-10-12-17)22-23(18-13-6-4-7-14-18)19-15-8-5-9-16-19/h4-9,13-17,20,23H,10-12H2,1-3H3.
What are the key properties of (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane?
(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane has a molecular weight of 324.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane is sourced from PubChem (CID 173387668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).