tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane

C23H32OSi — CID 146170065

IUPACtert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OSi/c1-7-18-23(20-14-10-8-11-15-20,21-16-12-9-13-17-21)19-24-25(5,6)22(2,3)4/h7-17H,1,18-19H2,2-6H3
InChIKeyYNBBGCBPRUWZQK-UHFFFAOYSA-N
MW352.59 g/mol
LogP6.57
Rot. Bonds7

About tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane

tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane (PubChem CID 146170065) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane
PubChem CID146170065
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Nametert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane
SMILESC=CCC(CO[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32OSi/c1-7-18-23(20-14-10-8-11-15-20,21-16-12-9-13-17-21)19-24-25(5,6)22(2,3)4/h7-17H,1,18-19H2,2-6H3
InChIKeyYNBBGCBPRUWZQK-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane (CID 146170065) is tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane is C=CCC(CO[Si](C)(C)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane?
The InChIKey is YNBBGCBPRUWZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi/c1-7-18-23(20-14-10-8-11-15-20,21-16-12-9-13-17-21)19-24-25(5,6)22(2,3)4/h7-17H,1,18-19H2,2-6H3.
What are the key properties of tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane?
tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane has a molecular weight of 352.59 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,2-diphenylpent-4-enoxy)-dimethylsilane is sourced from PubChem (CID 146170065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).