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

C15H24O2Si — CID 15049953

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
SMILESCCC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyZEVXXTTXIMPICI-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.66
Rot. Bonds4

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

1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one (PubChem CID 15049953) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
PubChem CID15049953
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
SMILESCCC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C15H24O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3
InChIKeyZEVXXTTXIMPICI-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.66
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

3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
CID 15880823
1-(3-trimethylsilyloxyphenyl)ethanone
CID 606413
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one (CID 15049953) is 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one is CCC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one?
The InChIKey is ZEVXXTTXIMPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-7-14(16)12-9-8-10-13(11-12)17-18(5,6)15(2,3)4/h8-11H,7H2,1-6H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one?
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one has a molecular weight of 264.44 g/mol, XLogP of 4.66, 4 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]oxyphenyl]propan-1-one is sourced from PubChem (CID 15049953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).