tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane

C19H33FO2Si — CID 10831054

IUPACtert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
SMILESCC(F)(COCc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33FO2Si/c1-17(2,3)23(7,8)22-18(4,5)19(6,20)15-21-14-16-12-10-9-11-13-16/h9-13H,14-15H2,1-8H3
InChIKeyAAOHEXUTXNRHPC-UHFFFAOYSA-N
MW340.56 g/mol
LogP5.73
Rot. Bonds7

About tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane

tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane (PubChem CID 10831054) has the molecular formula C19H33FO2Si and a molecular weight of 340.56 g/mol. Its IUPAC name is tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
PubChem CID10831054
Molecular FormulaC19H33FO2Si
Molecular Weight340.56 g/mol
Exact Mass340.22
IUPAC Nametert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane
SMILESCC(F)(COCc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33FO2Si/c1-17(2,3)23(7,8)22-18(4,5)19(6,20)15-21-14-16-12-10-9-11-13-16/h9-13H,14-15H2,1-8H3
InChIKeyAAOHEXUTXNRHPC-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]methylbenzene
CID 139782867
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dimethyl-5-phenylmethoxypent-1-en-3-ol
CID 102195848
(2S,3R)-3-fluoro-3-methyl-4-phenylmethoxybutan-2-ol
CID 121002722
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
CID 68648592

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane (CID 10831054) is tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane is CC(F)(COCc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane?
The InChIKey is AAOHEXUTXNRHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FO2Si/c1-17(2,3)23(7,8)22-18(4,5)19(6,20)15-21-14-16-12-10-9-11-13-16/h9-13H,14-15H2,1-8H3.
What are the key properties of tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane?
tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane has a molecular weight of 340.56 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-fluoro-2,3-dimethyl-4-phenylmethoxybutan-2-yl)oxy-dimethylsilane is sourced from PubChem (CID 10831054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).