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

C21H34O2Si — CID 15808503

IUPACtert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane
SMILESCC(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C21H34O2Si/c1-15(2)18-19(22-14-21(18,6)7)16-11-10-12-17(13-16)23-24(8,9)20(3,4)5/h10-13,15H,14H2,1-9H3
InChIKeyBEOKEUPGJLQZLU-UHFFFAOYSA-N
MW346.59 g/mol
LogP6.49
Rot. Bonds4

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

tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane (PubChem CID 15808503) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane
PubChem CID15808503
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Nametert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane
SMILESCC(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C
InChIInChI=1S/C21H34O2Si/c1-15(2)18-19(22-14-21(18,6)7)16-11-10-12-17(13-16)23-24(8,9)20(3,4)5/h10-13,15H,14H2,1-9H3
InChIKeyBEOKEUPGJLQZLU-UHFFFAOYSA-N
XLogP6.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane (CID 15808503) is tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane is CC(C)C1=C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)OCC1(C)C.
What is the InChIKey of tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane?
The InChIKey is BEOKEUPGJLQZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-15(2)18-19(22-14-21(18,6)7)16-11-10-12-17(13-16)23-24(8,9)20(3,4)5/h10-13,15H,14H2,1-9H3.
What are the key properties of tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane?
tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane has a molecular weight of 346.59 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(3,3-dimethyl-4-propan-2-yl-2H-furan-5-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 15808503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).