3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one

C17H26O2Si — CID 102483532

IUPAC3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
SMILESC=C(C(C)=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-13(14(2)18)16(15-11-9-8-10-12-15)19-20(6,7)17(3,4)5/h8-12,16H,1H2,2-7H3
InChIKeyDKOBWLBCYCWIBN-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.89
Rot. Bonds5

About 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one

3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one (PubChem CID 102483532) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
PubChem CID102483532
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
SMILESC=C(C(C)=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H26O2Si/c1-13(14(2)18)16(15-11-9-8-10-12-15)19-20(6,7)17(3,4)5/h8-12,16H,1H2,2-7H3
InChIKeyDKOBWLBCYCWIBN-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo-5-phenylpent-2-enal
CID 135026287
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
methyl 2-[[tert-butyl(dimethyl)silyl]oxy-(4-nitrophenyl)methyl]prop-2-enoate
CID 11739619
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
ethyl (2E,4E,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-oxo-7-phenylhepta-2,4-dienoate
CID 135026288
1-phenyl-1-trimethylsilyloxypropan-2-one
CID 14957195
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one (CID 102483532) is 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one is C=C(C(C)=O)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one?
The InChIKey is DKOBWLBCYCWIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-13(14(2)18)16(15-11-9-8-10-12-15)19-20(6,7)17(3,4)5/h8-12,16H,1H2,2-7H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one?
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one has a molecular weight of 290.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one is sourced from PubChem (CID 102483532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).