2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one

C17H28O3Si2 — CID 13088111

IUPAC2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one
SMILESC[Si](C)(C)OC(c1ccccc1)C1(O[Si](C)(C)C)CCC1=O
InChIInChI=1S/C17H28O3Si2/c1-21(2,3)19-16(14-10-8-7-9-11-14)17(13-12-15(17)18)20-22(4,5)6/h7-11,16H,12-13H2,1-6H3
InChIKeyHJPCECIXRWXCAT-UHFFFAOYSA-N
MW336.58 g/mol
LogP4.53
Rot. Bonds6

About 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one

2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one (PubChem CID 13088111) has the molecular formula C17H28O3Si2 and a molecular weight of 336.58 g/mol. Its IUPAC name is 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one.

Molecular Properties

Compound Name2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one
PubChem CID13088111
Molecular FormulaC17H28O3Si2
Molecular Weight336.58 g/mol
Exact Mass336.16
IUPAC Name2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one
SMILESC[Si](C)(C)OC(c1ccccc1)C1(O[Si](C)(C)C)CCC1=O
InChIInChI=1S/C17H28O3Si2/c1-21(2,3)19-16(14-10-8-7-9-11-14)17(13-12-15(17)18)20-22(4,5)6/h7-11,16H,12-13H2,1-6H3
InChIKeyHJPCECIXRWXCAT-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy-(2-methoxyphenyl)methyl]-2-trimethylsilyloxycyclobutan-1-one
CID 101203203
cis-(2R,5S)-5-tert-butyl-2-methyl-2-[(R)-phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one
CID 12848368
trimethyl(1-phenylethoxy)silane
CID 519015
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480
1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
[(1R)-2,2-dimethyl-1-phenylpropoxy]-trimethylsilane
CID 101471174
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
(3aS,7aS)-7a-methyl-3a-trimethylsilyloxy-2,3,6,7-tetrahydroinden-1-one
CID 24827686
[(4-methyl-2-oxo-1,3-dioxolan-4-yl)-phenylmethyl] formate
CID 174553480
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The IUPAC name of 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one (CID 13088111) is 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one.
What is the SMILES notation for 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The canonical SMILES for 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one is C[Si](C)(C)OC(c1ccccc1)C1(O[Si](C)(C)C)CCC1=O.
What is the InChIKey of 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one?
The InChIKey is HJPCECIXRWXCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si2/c1-21(2,3)19-16(14-10-8-7-9-11-14)17(13-12-15(17)18)20-22(4,5)6/h7-11,16H,12-13H2,1-6H3.
What are the key properties of 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one?
2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one has a molecular weight of 336.58 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(trimethylsilyloxy)methyl]-2-trimethylsilyloxycyclobutan-1-one is sourced from PubChem (CID 13088111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).