4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one

C23H30OSi — CID 102231064

IUPAC4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one
SMILESCC(=O)CC(CC(=C(C)C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-18(2)23(20-12-8-6-9-13-20)17-22(16-19(3)24)25(4,5)21-14-10-7-11-15-21/h6-15,22H,16-17H2,1-5H3
InChIKeyIIRAYOCORJHHQC-UHFFFAOYSA-N
MW350.58 g/mol
LogP5.84
Rot. Bonds7

About 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one

4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one (PubChem CID 102231064) has the molecular formula C23H30OSi and a molecular weight of 350.58 g/mol. Its IUPAC name is 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one.

Molecular Properties

Compound Name4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one
PubChem CID102231064
Molecular FormulaC23H30OSi
Molecular Weight350.58 g/mol
Exact Mass350.21
IUPAC Name4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one
SMILESCC(=O)CC(CC(=C(C)C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H30OSi/c1-18(2)23(20-12-8-6-9-13-20)17-22(16-19(3)24)25(4,5)21-14-10-7-11-15-21/h6-15,22H,16-17H2,1-5H3
InChIKeyIIRAYOCORJHHQC-UHFFFAOYSA-N
XLogP5.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.84
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 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one?
The IUPAC name of 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one (CID 102231064) is 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one.
What is the SMILES notation for 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one?
The canonical SMILES for 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one is CC(=O)CC(CC(=C(C)C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one?
The InChIKey is IIRAYOCORJHHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30OSi/c1-18(2)23(20-12-8-6-9-13-20)17-22(16-19(3)24)25(4,5)21-14-10-7-11-15-21/h6-15,22H,16-17H2,1-5H3.
What are the key properties of 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one?
4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one has a molecular weight of 350.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl(phenyl)silyl]-7-methyl-6-phenyloct-6-en-2-one is sourced from PubChem (CID 102231064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).