(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one

C35H40OSi2 — CID 138979741

IUPAC(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one
SMILESC[Si](C)(/C(=C/[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1)CC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C35H40OSi2/c1-37(2,32-21-13-7-14-22-32)34(27-31(36)26-25-29-17-9-5-10-18-29)28-35(30-19-11-6-12-20-30)38(3,4)33-23-15-8-16-24-33/h5-24,28,35H,25-27H2,1-4H3/b34-28+/t35-/m0/s1
InChIKeyONACSIUMRWMOMV-JABWTZMZSA-N
MW532.88 g/mol
LogP7.60
Rot. Bonds11

About (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one

(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one (PubChem CID 138979741) has the molecular formula C35H40OSi2 and a molecular weight of 532.88 g/mol. Its IUPAC name is (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one.

Molecular Properties

Compound Name(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one
PubChem CID138979741
Molecular FormulaC35H40OSi2
Molecular Weight532.88 g/mol
Exact Mass532.26
IUPAC Name(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one
SMILESC[Si](C)(/C(=C/[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1)CC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C35H40OSi2/c1-37(2,32-21-13-7-14-22-32)34(27-31(36)26-25-29-17-9-5-10-18-29)28-35(30-19-11-6-12-20-30)38(3,4)33-23-15-8-16-24-33/h5-24,28,35H,25-27H2,1-4H3/b34-28+/t35-/m0/s1
InChIKeyONACSIUMRWMOMV-JABWTZMZSA-N
XLogP7.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5-Tetraphenyl-2,4-cyclopentadien-1-one
CID 68068
1,1,3,3-Tetraphenyl-propan-2-one
CID 344787
2,3,4,5-Tetrakis(4-methylphenyl)-2,4-cyclopentadien-1-one
CID 370270
1-Phenyl-1-(triphenyl-lambda5-phosphanylidene)propan-2-one
CID 11132996
(E)-2,3-bis[dimethyl(phenyl)silyl]-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 138979072
2-Butanone, 4-(dimethylphenylsilyl)-4-phenyl-
CID 584559
1-Propanone, 3-(dimethylphenylsilyl)-1,3-diphenyl-
CID 584995
5-[Tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
CID 10066505
(Z)-4-[tert-butyl(diphenyl)silyl]-3-phenylbut-3-en-2-one
CID 10249456
cis-(3R,4S)-3,4-bis[dimethyl-(4-methylphenyl)silyl]cyclopentan-1-one
CID 11058016
3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
CID 11726180
4-[[Dimethyl(phenyl)silyl]methyl]-1,3-diphenylpent-4-en-1-one
CID 101034317

Frequently Asked Questions

What is the IUPAC name of (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one?
The IUPAC name of (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one (CID 138979741) is (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one.
What is the SMILES notation for (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one?
The canonical SMILES for (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one is C[Si](C)(/C(=C/[C@@H](c1ccccc1)[Si](C)(C)c1ccccc1)CC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one?
The InChIKey is ONACSIUMRWMOMV-JABWTZMZSA-N. The full InChI is InChI=1S/C35H40OSi2/c1-37(2,32-21-13-7-14-22-32)34(27-31(36)26-25-29-17-9-5-10-18-29)28-35(30-19-11-6-12-20-30)38(3,4)33-23-15-8-16-24-33/h5-24,28,35H,25-27H2,1-4H3/b34-28+/t35-/m0/s1.
What are the key properties of (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one?
(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one has a molecular weight of 532.88 g/mol, XLogP of 7.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one is sourced from PubChem (CID 138979741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).