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

C38H50Si — CID 140588633

IUPACtris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=CC(C(C)C)=CC2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C38H50Si/c1-6-9-12-31-15-22-35(23-16-31)39(38-28-21-34(29-38)30(4)5,36-24-17-32(18-25-36)13-10-7-2)37-26-19-33(20-27-37)14-11-8-3/h15-27,29-30H,6-14,28H2,1-5H3
InChIKeyHXGJAATYPWLANQ-UHFFFAOYSA-N
MW534.90 g/mol
LogP8.64
Rot. Bonds14

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

tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140588633) has the molecular formula C38H50Si and a molecular weight of 534.90 g/mol. Its IUPAC name is tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140588633
Molecular FormulaC38H50Si
Molecular Weight534.90 g/mol
Exact Mass534.37
IUPAC Nametris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
SMILESCCCCc1ccc([Si](C2=CC(C(C)C)=CC2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C38H50Si/c1-6-9-12-31-15-22-35(23-16-31)39(38-28-21-34(29-38)30(4)5,36-24-17-32(18-25-36)13-10-7-2)37-26-19-33(20-27-37)14-11-8-3/h15-27,29-30H,6-14,28H2,1-5H3
InChIKeyHXGJAATYPWLANQ-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.90
LogP ≤ 58.64
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

tris(4-butylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)silane
CID 140588491
(2-butylcyclopenta-1,3-dien-1-yl)-tris(4-butylphenyl)silane
CID 123313636
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane
CID 140588244
(4-butylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 123280881
titanium(4+);tris(4-butylphenyl)-(2-ethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383958
(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

Frequently Asked Questions

What is the IUPAC name of tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane (CID 140588633) is tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane is CCCCc1ccc([Si](C2=CC(C(C)C)=CC2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is HXGJAATYPWLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50Si/c1-6-9-12-31-15-22-35(23-16-31)39(38-28-21-34(29-38)30(4)5,36-24-17-32(18-25-36)13-10-7-2)37-26-19-33(20-27-37)14-11-8-3/h15-27,29-30H,6-14,28H2,1-5H3.
What are the key properties of tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane?
tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 534.90 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140588633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).