(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one

C26H26OSi — CID 135077297

IUPAC(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one
SMILESCC(C)=CC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26OSi/c1-22(2)14-12-13-21-26(27)28(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-11,13-21H,12H2,1-2H3/b21-13+
InChIKeySNMWDKJAOIAEIF-FYJGNVAPSA-N
MW382.58 g/mol
LogP4.18
Rot. Bonds7

About (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one

(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one (PubChem CID 135077297) has the molecular formula C26H26OSi and a molecular weight of 382.58 g/mol. Its IUPAC name is (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one.

Molecular Properties

Compound Name(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one
PubChem CID135077297
Molecular FormulaC26H26OSi
Molecular Weight382.58 g/mol
Exact Mass382.18
IUPAC Name(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one
SMILESCC(C)=CC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26OSi/c1-22(2)14-12-13-21-26(27)28(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-11,13-21H,12H2,1-2H3/b21-13+
InChIKeySNMWDKJAOIAEIF-FYJGNVAPSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1,1',1''-(ethoxysilylidyne)tris-
CID 73695
Methoxytriphenylsilane
CID 74588
Acetyltriphenylsilane
CID 5226386
2,2-Difluoro-1-triphenylsilylethanone
CID 86003413
2-Fluoro-1-triphenylsilylethanone
CID 86003433
(E)-1-triphenylgermylbut-2-en-1-one
CID 11646445
2-[Tert-butyl(diphenyl)silyl]-3,3-dimethylbut-1-en-1-one
CID 14451174
(E)-3-iodo-1-triphenylsilylprop-2-en-1-one
CID 14934032
(E)-3-tributylstannyl-1-triphenylsilylprop-2-en-1-one
CID 14934034
(2E)-1-triphenylsilylpenta-2,4-dien-1-one
CID 14934037
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
Triphenylsilyl vinyl ketone
CID 15033005

Frequently Asked Questions

What is the IUPAC name of (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one?
The IUPAC name of (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one (CID 135077297) is (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one.
What is the SMILES notation for (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one?
The canonical SMILES for (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one is CC(C)=CC/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one?
The InChIKey is SNMWDKJAOIAEIF-FYJGNVAPSA-N. The full InChI is InChI=1S/C26H26OSi/c1-22(2)14-12-13-21-26(27)28(23-15-6-3-7-16-23,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-11,13-21H,12H2,1-2H3/b21-13+.
What are the key properties of (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one?
(2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one has a molecular weight of 382.58 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methyl-1-triphenylsilylhepta-2,5-dien-1-one is sourced from PubChem (CID 135077297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).