(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane

C33H40Si — CID 140588244

IUPAC(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane
SMILESCCCCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1
InChIInChI=1S/C33H40Si/c1-8-9-10-29-11-12-30(22-29)34(31-16-23(2)13-24(3)17-31,32-18-25(4)14-26(5)19-32)33-20-27(6)15-28(7)21-33/h11,13-22H,8-10,12H2,1-7H3
InChIKeyALYQQTWLZPQYJZ-UHFFFAOYSA-N
MW464.77 g/mol
LogP6.99
Rot. Bonds7

About (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane

(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane (PubChem CID 140588244) has the molecular formula C33H40Si and a molecular weight of 464.77 g/mol. Its IUPAC name is (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane.

Molecular Properties

Compound Name(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane
PubChem CID140588244
Molecular FormulaC33H40Si
Molecular Weight464.77 g/mol
Exact Mass464.29
IUPAC Name(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane
SMILESCCCCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1
InChIInChI=1S/C33H40Si/c1-8-9-10-29-11-12-30(22-29)34(31-16-23(2)13-24(3)17-31,32-18-25(4)14-26(5)19-32)33-20-27(6)15-28(7)21-33/h11,13-22H,8-10,12H2,1-7H3
InChIKeyALYQQTWLZPQYJZ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 56.99
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(3,5-dimethylphenyl)-(3-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588709
tris(4-butylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)silane
CID 140588491
chloro-dimethyl-(3-octylcyclopenta-1,3-dien-1-yl)silane
CID 67541931
3-butyl-1-[2-(3-butylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 101202010
tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
CID 123161934
tris(4-butylphenyl)-(3-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 140588633
2-butyl-1,3,5-trimethylbenzene
CID 527298
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-[(2-butylcyclopenta-1,3-dien-1-yl)-bis(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 123514923
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
2,3-dibutyl-5-methylphenol
CID 151375054
pentane;2,4,6-trimethylpyridine
CID 162753467

Frequently Asked Questions

What is the IUPAC name of (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The IUPAC name of (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane (CID 140588244) is (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane.
What is the SMILES notation for (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The canonical SMILES for (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane is CCCCC1=CCC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)=C1.
What is the InChIKey of (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The InChIKey is ALYQQTWLZPQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40Si/c1-8-9-10-29-11-12-30(22-29)34(31-16-23(2)13-24(3)17-31,32-18-25(4)14-26(5)19-32)33-20-27(6)15-28(7)21-33/h11,13-22H,8-10,12H2,1-7H3.
What are the key properties of (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane has a molecular weight of 464.77 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane is sourced from PubChem (CID 140588244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).