tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane

C23H32OSi — CID 123543727

IUPACtert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCc2ccccc2)c(C2CC2)c1
InChIInChI=1S/C23H32OSi/c1-23(2,3)25(4,5)24-21-16-15-19(22(17-21)20-13-14-20)12-11-18-9-7-6-8-10-18/h6-10,15-17,20H,11-14H2,1-5H3
InChIKeyWBAZVFZCBQXLRI-UHFFFAOYSA-N
MW352.59 g/mol
LogP6.73
Rot. Bonds6

About tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane

tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane (PubChem CID 123543727) has the molecular formula C23H32OSi and a molecular weight of 352.59 g/mol. Its IUPAC name is tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
PubChem CID123543727
Molecular FormulaC23H32OSi
Molecular Weight352.59 g/mol
Exact Mass352.22
IUPAC Nametert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(CCc2ccccc2)c(C2CC2)c1
InChIInChI=1S/C23H32OSi/c1-23(2,3)25(4,5)24-21-16-15-19(22(17-21)20-13-14-20)12-11-18-9-7-6-8-10-18/h6-10,15-17,20H,11-14H2,1-5H3
InChIKeyWBAZVFZCBQXLRI-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 56.73
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-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane (CID 123543727) is tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(CCc2ccccc2)c(C2CC2)c1.
What is the InChIKey of tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane?
The InChIKey is WBAZVFZCBQXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32OSi/c1-23(2,3)25(4,5)24-21-16-15-19(22(17-21)20-13-14-20)12-11-18-9-7-6-8-10-18/h6-10,15-17,20H,11-14H2,1-5H3.
What are the key properties of tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane?
tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane has a molecular weight of 352.59 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-cyclopropyl-4-(2-phenylethyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 123543727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).