(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one

C28H34OSi2 — CID 138979074

IUPAC(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one
SMILESCCCC(=O)/C(=C(/c1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H34OSi2/c1-6-16-26(29)28(31(4,5)25-21-14-9-15-22-25)27(23-17-10-7-11-18-23)30(2,3)24-19-12-8-13-20-24/h7-15,17-22H,6,16H2,1-5H3/b28-27+
InChIKeyOBIFWIYDUOPRKR-BYYHNAKLSA-N
MW442.75 g/mol
LogP6.12
Rot. Bonds8

About (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one

(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one (PubChem CID 138979074) has the molecular formula C28H34OSi2 and a molecular weight of 442.75 g/mol. Its IUPAC name is (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one
PubChem CID138979074
Molecular FormulaC28H34OSi2
Molecular Weight442.75 g/mol
Exact Mass442.21
IUPAC Name(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one
SMILESCCCC(=O)/C(=C(/c1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H34OSi2/c1-6-16-26(29)28(31(4,5)25-21-14-9-15-22-25)27(23-17-10-7-11-18-23)30(2,3)24-19-12-8-13-20-24/h7-15,17-22H,6,16H2,1-5H3/b28-27+
InChIKeyOBIFWIYDUOPRKR-BYYHNAKLSA-N
XLogP6.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.75
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2,6-Dibenzylidenecyclohexanone
CID 1550330
2,6-Bis(benzylidene)cyclohexanone
CID 95336
(2Z,6Z)-2,6-dibenzylidenecyclohexanone
CID 1550329
2,6-Bis-(3-phenyl-allylidene)-cyclohexanone
CID 5714140
(1E,4E)-2-methyl-1,5-diphenylpenta-1,4-dien-3-one
CID 12324232
2,6-Bis(3-phenyl-2-propen-1-ylidene)cyclohexanone
CID 263068
2,6-Dibenzylidene-4-methylcyclohexanone
CID 1799215
2,6-Bis(1-phenylethylidene)cyclohexanone
CID 3004411
Cyclohexanone, 4-methyl-2,6-bis(3-phenyl-2-propenylidene)-
CID 3592139
(2E,6E)-2,6-dibenzylidene-3-methylcyclohexan-1-one
CID 5977578
Benzoyldiphenylmethylsilane
CID 4318748
(2Z,6E)-2,6-dibenzylidenecyclohexanone
CID 1550328

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one?
The IUPAC name of (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one (CID 138979074) is (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one.
What is the SMILES notation for (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one?
The canonical SMILES for (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one is CCCC(=O)/C(=C(/c1ccccc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one?
The InChIKey is OBIFWIYDUOPRKR-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H34OSi2/c1-6-16-26(29)28(31(4,5)25-21-14-9-15-22-25)27(23-17-10-7-11-18-23)30(2,3)24-19-12-8-13-20-24/h7-15,17-22H,6,16H2,1-5H3/b28-27+.
What are the key properties of (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one?
(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one has a molecular weight of 442.75 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one is sourced from PubChem (CID 138979074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).