1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone

C15H22O2Si — CID 24746358

IUPAC1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone
SMILESC=C(CCc1ccc(C(C)=O)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-12(17-18(3,4)5)6-7-14-8-10-15(11-9-14)13(2)16/h8-11H,1,6-7H2,2-5H3
InChIKeyYKKINIJNURFGMA-UHFFFAOYSA-N
MW262.43 g/mol
LogP4.19
Rot. Bonds6

About 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone

1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone (PubChem CID 24746358) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone
PubChem CID24746358
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone
SMILESC=C(CCc1ccc(C(C)=O)cc1)O[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-12(17-18(3,4)5)6-7-14-8-10-15(11-9-14)13(2)16/h8-11H,1,6-7H2,2-5H3
InChIKeyYKKINIJNURFGMA-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-iodoethyl)phenyl]ethanone
CID 18402562
trimethylsilyl 3-(4-hydroxyphenyl)propanoate
CID 91710913
3-(4-acetylphenyl)propanal
CID 11030349
1-[4-(4-pyridin-4-ylbutyl)phenyl]ethanone
CID 97356056
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
1-[4-(4-hydroxybutyl)phenyl]ethanone
CID 14995223
ethyl 4-(3-methylbut-3-enyl)benzoate
CID 24721809
1-(4-acetylphenyl)ethanone;methane
CID 159515104
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
1-[4-(1-hydroxyethenyl)phenyl]ethanone;propane
CID 143877999
1-[4-[3,3-bis(methylamino)propyl]phenyl]ethanone
CID 175185737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone (CID 24746358) is 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone is C=C(CCc1ccc(C(C)=O)cc1)O[Si](C)(C)C.
What is the InChIKey of 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone?
The InChIKey is YKKINIJNURFGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-12(17-18(3,4)5)6-7-14-8-10-15(11-9-14)13(2)16/h8-11H,1,6-7H2,2-5H3.
What are the key properties of 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone?
1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone has a molecular weight of 262.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-trimethylsilyloxybut-3-enyl)phenyl]ethanone is sourced from PubChem (CID 24746358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).