1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one

C16H26O2Si — CID 70662263

IUPAC1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O2Si/c1-7-15(17)14-10-8-9-13(11-14)12-18-19(5,6)16(2,3)4/h8-11H,7,12H2,1-6H3
InChIKeyNEMCROCVCZBREA-UHFFFAOYSA-N
MW278.47 g/mol
LogP4.80
Rot. Bonds5

About 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one

1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one (PubChem CID 70662263) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
PubChem CID70662263
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H26O2Si/c1-7-15(17)14-10-8-9-13(11-14)12-18-19(5,6)16(2,3)4/h8-11H,7,12H2,1-6H3
InChIKeyNEMCROCVCZBREA-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
CID 21224724
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one?
The IUPAC name of 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one (CID 70662263) is 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one is CCC(=O)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one?
The InChIKey is NEMCROCVCZBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-7-15(17)14-10-8-9-13(11-14)12-18-19(5,6)16(2,3)4/h8-11H,7,12H2,1-6H3.
What are the key properties of 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one?
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one has a molecular weight of 278.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one is sourced from PubChem (CID 70662263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).