tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one

C20H26O2Si — CID 159058598

IUPACtert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one
SMILESCC(C)(C)[SiH](c1ccccc1)c1ccccc1.O=C1CC(O)C1
InChIInChI=1S/C16H20Si.C4H6O2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;5-3-1-4(6)2-3/h4-13,17H,1-3H3;3,5H,1-2H2
InChIKeyJYEGNFSZCSTOMG-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.54
Rot. Bonds2

About tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one

tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one (PubChem CID 159058598) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one.

Molecular Properties

Compound Nametert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one
PubChem CID159058598
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Nametert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one
SMILESCC(C)(C)[SiH](c1ccccc1)c1ccccc1.O=C1CC(O)C1
InChIInChI=1S/C16H20Si.C4H6O2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;5-3-1-4(6)2-3/h4-13,17H,1-3H3;3,5H,1-2H2
InChIKeyJYEGNFSZCSTOMG-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
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(diphenyl)silane;3-hydroxycyclobutan-1-one?
The IUPAC name of tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one (CID 159058598) is tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one.
What is the SMILES notation for tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one?
The canonical SMILES for tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one is CC(C)(C)[SiH](c1ccccc1)c1ccccc1.O=C1CC(O)C1.
What is the InChIKey of tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one?
The InChIKey is JYEGNFSZCSTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si.C4H6O2/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;5-3-1-4(6)2-3/h4-13,17H,1-3H3;3,5H,1-2H2.
What are the key properties of tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one?
tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one has a molecular weight of 326.51 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(diphenyl)silane;3-hydroxycyclobutan-1-one is sourced from PubChem (CID 159058598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).