(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane

C29H32Si — CID 123280881

IUPAC(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCCCCc1ccc([Si](C2=C(C)C=C(C)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H32Si/c1-4-5-12-25-17-19-28(20-18-25)30(26-13-8-6-9-14-26,27-15-10-7-11-16-27)29-22-23(2)21-24(29)3/h6-11,13-21H,4-5,12,22H2,1-3H3
InChIKeyPKINLEOQUSJYFZ-UHFFFAOYSA-N
MW408.66 g/mol
LogP5.71
Rot. Bonds7

About (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane

(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane (PubChem CID 123280881) has the molecular formula C29H32Si and a molecular weight of 408.66 g/mol. Its IUPAC name is (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
PubChem CID123280881
Molecular FormulaC29H32Si
Molecular Weight408.66 g/mol
Exact Mass408.23
IUPAC Name(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCCCCc1ccc([Si](C2=C(C)C=C(C)C2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H32Si/c1-4-5-12-25-17-19-28(20-18-25)30(26-13-8-6-9-14-26,27-15-10-7-11-16-27)29-22-23(2)21-24(29)3/h6-11,13-21H,4-5,12,22H2,1-3H3
InChIKeyPKINLEOQUSJYFZ-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.71
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)-phenyl-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 123322742
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
(4-butylphenyl)methyl-dimethyl-phenylsilane
CID 10636667
1-butyl-4-(2,4-dimethylcyclopenta-1,4-dien-1-yl)benzene
CID 139929581
butylbenzene;propylbenzene
CID 142022125
titanium(4+);tris(4-butylphenyl)-(2-ethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383958
tris(4-butylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)silane
CID 140588491
1-butyl-4-phenylbenzene;ethane
CID 143743409
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
tris(4-butylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 86667942
butylbenzene;hydroxylamine
CID 175142403
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The IUPAC name of (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane (CID 123280881) is (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane.
What is the SMILES notation for (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The canonical SMILES for (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane is CCCCc1ccc([Si](C2=C(C)C=C(C)C2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The InChIKey is PKINLEOQUSJYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Si/c1-4-5-12-25-17-19-28(20-18-25)30(26-13-8-6-9-14-26,27-15-10-7-11-16-27)29-22-23(2)21-24(29)3/h6-11,13-21H,4-5,12,22H2,1-3H3.
What are the key properties of (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane has a molecular weight of 408.66 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane is sourced from PubChem (CID 123280881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).