tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane

C36H46Si — CID 140852682

IUPACtris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC(C)=C2)cc1
InChIInChI=1S/C36H46Si/c1-5-8-11-30-15-22-33(23-16-30)37(36-21-14-29(4)28-36,34-24-17-31(18-25-34)12-9-6-2)35-26-19-32(20-27-35)13-10-7-3/h14-28,36H,5-13H2,1-4H3
InChIKeyDKKLUMFVZCDFAS-UHFFFAOYSA-N
MW506.85 g/mol
LogP8.07
Rot. Bonds13

About tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane

tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 140852682) has the molecular formula C36H46Si and a molecular weight of 506.85 g/mol. Its IUPAC name is tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
PubChem CID140852682
Molecular FormulaC36H46Si
Molecular Weight506.85 g/mol
Exact Mass506.34
IUPAC Nametris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC(C)=C2)cc1
InChIInChI=1S/C36H46Si/c1-5-8-11-30-15-22-33(23-16-30)37(36-21-14-29(4)28-36,34-24-17-31(18-25-34)12-9-6-2)35-26-19-32(20-27-35)13-10-7-3/h14-28,36H,5-13H2,1-4H3
InChIKeyDKKLUMFVZCDFAS-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.85
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
CID 139774073
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942
1-butyl-4-nonylbenzene
CID 59545302
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
CID 140852530
(4-decylphenyl)-trimethylsilane
CID 69331769
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
titanium(4+);tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 173383810
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213

Frequently Asked Questions

What is the IUPAC name of tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane (CID 140852682) is tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane is CCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC(C)=C2)cc1.
What is the InChIKey of tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is DKKLUMFVZCDFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46Si/c1-5-8-11-30-15-22-33(23-16-30)37(36-21-14-29(4)28-36,34-24-17-31(18-25-34)12-9-6-2)35-26-19-32(20-27-35)13-10-7-3/h14-28,36H,5-13H2,1-4H3.
What are the key properties of tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane?
tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 506.85 g/mol, XLogP of 8.07, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 140852682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).