(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one

C28H32OSi — CID 102231061

IUPAC(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one
SMILESCC(=O)CC(/C=C/c1c(C)cc(C)cc1C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OSi/c1-21-18-22(2)28(23(3)19-21)17-16-27(20-24(4)29)30(5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,27H,20H2,1-5H3/b17-16+
InChIKeyNHDDXYDPNQFTEY-WUKNDPDISA-N
MW412.65 g/mol
LogP5.87
Rot. Bonds7

About (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one

(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one (PubChem CID 102231061) has the molecular formula C28H32OSi and a molecular weight of 412.65 g/mol. Its IUPAC name is (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one.

Molecular Properties

Compound Name(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one
PubChem CID102231061
Molecular FormulaC28H32OSi
Molecular Weight412.65 g/mol
Exact Mass412.22
IUPAC Name(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one
SMILESCC(=O)CC(/C=C/c1c(C)cc(C)cc1C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OSi/c1-21-18-22(2)28(23(3)19-21)17-16-27(20-24(4)29)30(5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,27H,20H2,1-5H3/b17-16+
InChIKeyNHDDXYDPNQFTEY-WUKNDPDISA-N
XLogP5.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.65
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one?
The IUPAC name of (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one (CID 102231061) is (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one.
What is the SMILES notation for (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one?
The canonical SMILES for (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one is CC(=O)CC(/C=C/c1c(C)cc(C)cc1C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one?
The InChIKey is NHDDXYDPNQFTEY-WUKNDPDISA-N. The full InChI is InChI=1S/C28H32OSi/c1-21-18-22(2)28(23(3)19-21)17-16-27(20-24(4)29)30(5,25-12-8-6-9-13-25)26-14-10-7-11-15-26/h6-19,27H,20H2,1-5H3/b17-16+.
What are the key properties of (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one?
(E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one has a molecular weight of 412.65 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[methyl(diphenyl)silyl]-6-(2,4,6-trimethylphenyl)hex-5-en-2-one is sourced from PubChem (CID 102231061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).