1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone

C25H34O2Si — CID 86068761

IUPAC1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone
SMILESCCCCCCCC[Si](C)(c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C25H34O2Si/c1-5-6-7-8-9-10-19-28(4,24-15-11-22(12-16-24)20(2)26)25-17-13-23(14-18-25)21(3)27/h11-18H,5-10,19H2,1-4H3
InChIKeyCYMZJHPSXVLOLZ-UHFFFAOYSA-N
MW394.63 g/mol
LogP5.65
Rot. Bonds11

About 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone

1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone (PubChem CID 86068761) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone
PubChem CID86068761
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Name1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone
SMILESCCCCCCCC[Si](C)(c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1
InChIInChI=1S/C25H34O2Si/c1-5-6-7-8-9-10-19-28(4,24-15-11-22(12-16-24)20(2)26)25-17-13-23(14-18-25)21(3)27/h11-18H,5-10,19H2,1-4H3
InChIKeyCYMZJHPSXVLOLZ-UHFFFAOYSA-N
XLogP5.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone (CID 86068761) is 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone is CCCCCCCC[Si](C)(c1ccc(C(C)=O)cc1)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone?
The InChIKey is CYMZJHPSXVLOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-5-6-7-8-9-10-19-28(4,24-15-11-22(12-16-24)20(2)26)25-17-13-23(14-18-25)21(3)27/h11-18H,5-10,19H2,1-4H3.
What are the key properties of 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone?
1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone has a molecular weight of 394.63 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetylphenyl)-methyl-octylsilyl]phenyl]ethanone is sourced from PubChem (CID 86068761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).