butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane

C22H32O2Si — CID 91738963

IUPACbutoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane
SMILESCCCCO[Si](OC(C)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-6-7-18-23-25(20-14-10-8-11-15-20,21-16-12-9-13-17-21)24-19(2)22(3,4)5/h8-17,19H,6-7,18H2,1-5H3
InChIKeyUFOXQSTZFQMRMX-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.51
Rot. Bonds8

About butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane

butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane (PubChem CID 91738963) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane.

Molecular Properties

Compound Namebutoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane
PubChem CID91738963
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Namebutoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane
SMILESCCCCO[Si](OC(C)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-6-7-18-23-25(20-14-10-8-11-15-20,21-16-12-9-13-17-21)24-19(2)22(3,4)5/h8-17,19H,6-7,18H2,1-5H3
InChIKeyUFOXQSTZFQMRMX-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane?
The IUPAC name of butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane (CID 91738963) is butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane.
What is the SMILES notation for butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane?
The canonical SMILES for butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane is CCCCO[Si](OC(C)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane?
The InChIKey is UFOXQSTZFQMRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-6-7-18-23-25(20-14-10-8-11-15-20,21-16-12-9-13-17-21)24-19(2)22(3,4)5/h8-17,19H,6-7,18H2,1-5H3.
What are the key properties of butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane?
butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane has a molecular weight of 356.58 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(3,3-dimethylbutan-2-yloxy)-diphenylsilane is sourced from PubChem (CID 91738963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).