tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane

C22H36O2Si — CID 54489705

IUPACtert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C22H36O2Si/c1-20(2,3)19-18(23-15-22(19,7)8)16-12-11-13-17(14-16)24-25(9,10)21(4,5)6/h11-14H,15H2,1-10H3
InChIKeyXUVPZTHIONIPCZ-UHFFFAOYSA-N
MW360.61 g/mol
LogP6.88
Rot. Bonds3

About tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane

tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane (PubChem CID 54489705) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane
PubChem CID54489705
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Nametert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C22H36O2Si/c1-20(2,3)19-18(23-15-22(19,7)8)16-12-11-13-17(14-16)24-25(9,10)21(4,5)6/h11-14H,15H2,1-10H3
InChIKeyXUVPZTHIONIPCZ-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 10246652
tert-butyl-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 10315230
3-Methoxybenzyl alcohol, TMS derivative
CID 11413173
Silane, (4-ethoxyphenyl)dimethyl(((3-phenoxyphenyl)methoxy)methyl)-
CID 188556
3-Methyl-1-tributylsilyloxybenzene
CID 532566
3-Methyl-1-trihexylsilyloxybenzene
CID 532624
3-Methyl-1-triisobutylsilyloxybenzene
CID 532687
(3-Methoxyphenyl) methanol, n-propyl
CID 11492041
Agn-PC-00B8NL
CID 11542837
1-t-Butoxymethyl-3-methoxybenzene
CID 13297013
(3-Methoxyphenyl) methanol, n-butyl ether
CID 14244629
1-Methoxy-3-{[(propan-2-yl)oxy]methyl}benzene
CID 23548346

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane (CID 54489705) is tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane is CC(C)(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C.
What is the InChIKey of tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The InChIKey is XUVPZTHIONIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-20(2,3)19-18(23-15-22(19,7)8)16-12-11-13-17(14-16)24-25(9,10)21(4,5)6/h11-14H,15H2,1-10H3.
What are the key properties of tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane?
tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane has a molecular weight of 360.61 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 54489705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).