1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone

C19H30O3Si — CID 155978465

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
SMILESCC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKeyMVMVJJLZIVHYTM-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.72
Rot. Bonds6

About 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone

1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone (PubChem CID 155978465) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
PubChem CID155978465
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone
SMILESCC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1
InChIInChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3
InChIKeyMVMVJJLZIVHYTM-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.72
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-(Benzyloxy)cyclobutan-1-one
CID 11789736
Tert-butyl 3-(benzyloxy)cyclobutane-1-carboxylate
CID 165666987
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-oxohexanoate
CID 10872222
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 11067249
((3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)propoxy)methyl)benzene
CID 11471527
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 11717284
(4S)-Benzyl 4-((tert-butyldimethylsilyl)oxy)-2,5-dimethyl-3-oxohexanoate
CID 11760648
2-Benzyloxy-3-[t-butyl(dimethyl)silyloxy]-propanal
CID 13496830
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-one
CID 14121070
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypentan-2-one
CID 58595717
tert-butyl-dimethyl-[(2R)-4-phenylmethoxybutan-2-yl]oxysilane
CID 134866486

Frequently Asked Questions

What is the IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone (CID 155978465) is 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone is CC(=O)C1(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)C1.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
The InChIKey is MVMVJJLZIVHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3Si/c1-15(20)19(22-23(5,6)18(2,3)4)12-17(13-19)21-14-16-10-8-7-9-11-16/h7-11,17H,12-14H2,1-6H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone?
1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone has a molecular weight of 334.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclobutyl]ethanone is sourced from PubChem (CID 155978465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).