3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one

C39H44OSi2 — CID 15400117

IUPAC3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one
SMILESCCCCC1=C([Si](C)(c2ccccc2)c2ccccc2)C(=O)C([Si](C)(c2ccccc2)c2ccccc2)=C1CCCC
InChIInChI=1S/C39H44OSi2/c1-5-7-29-35-36(30-8-6-2)39(42(4,33-25-17-11-18-26-33)34-27-19-12-20-28-34)37(40)38(35)41(3,31-21-13-9-14-22-31)32-23-15-10-16-24-32/h9-28H,5-8,29-30H2,1-4H3
InChIKeyFJDNVLYXSUVNOZ-UHFFFAOYSA-N
MW584.95 g/mol
LogP7.41
Rot. Bonds12

About 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one

3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one (PubChem CID 15400117) has the molecular formula C39H44OSi2 and a molecular weight of 584.95 g/mol. Its IUPAC name is 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one
PubChem CID15400117
Molecular FormulaC39H44OSi2
Molecular Weight584.95 g/mol
Exact Mass584.29
IUPAC Name3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one
SMILESCCCCC1=C([Si](C)(c2ccccc2)c2ccccc2)C(=O)C([Si](C)(c2ccccc2)c2ccccc2)=C1CCCC
InChIInChI=1S/C39H44OSi2/c1-5-7-29-35-36(30-8-6-2)39(42(4,33-25-17-11-18-26-33)34-27-19-12-20-28-34)37(40)38(35)41(3,31-21-13-9-14-22-31)32-23-15-10-16-24-32/h9-28H,5-8,29-30H2,1-4H3
InChIKeyFJDNVLYXSUVNOZ-UHFFFAOYSA-N
XLogP7.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.95
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-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

2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 10897710
2,5-Bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 11005892
3,4-Dibutyl-2,5-bis[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 15400127
2,5-Bis[diphenyl(prop-2-enyl)silyl]-3,4-dimethylcyclopenta-2,4-dien-1-one
CID 15400139
2,5-Bis(triphenylsilyl)cyclopenta-2,4-dien-1-one
CID 102500774
2,3,5-Tris[diphenyl(prop-2-enyl)silyl]-4-methylcyclopenta-2,4-dien-1-one
CID 134977140
2,3,5-Tris[diphenyl(prop-2-enyl)silyl]-4-phenylcyclopenta-2,4-dien-1-one
CID 134977266
2,3,5-Tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 134977397
3-Butyl-2,4,5-tris[diphenyl(prop-2-enyl)silyl]cyclopenta-2,4-dien-1-one
CID 134977398
(E)-1,2-bis[dimethyl(phenyl)silyl]-1-phenylhex-1-en-3-one
CID 138979074
(E,7S)-5,7-bis[dimethyl(phenyl)silyl]-1,7-diphenylhept-5-en-3-one
CID 138979741
(E)-1-[tert-butyl(dimethyl)silyl]-3-triphenylsilylprop-2-en-1-one
CID 101051965

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one (CID 15400117) is 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one is CCCCC1=C([Si](C)(c2ccccc2)c2ccccc2)C(=O)C([Si](C)(c2ccccc2)c2ccccc2)=C1CCCC.
What is the InChIKey of 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one?
The InChIKey is FJDNVLYXSUVNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44OSi2/c1-5-7-29-35-36(30-8-6-2)39(42(4,33-25-17-11-18-26-33)34-27-19-12-20-28-34)37(40)38(35)41(3,31-21-13-9-14-22-31)32-23-15-10-16-24-32/h9-28H,5-8,29-30H2,1-4H3.
What are the key properties of 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one?
3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one has a molecular weight of 584.95 g/mol, XLogP of 7.41, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2,5-bis[methyl(diphenyl)silyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 15400117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).