tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane

C43H60Si — CID 140588480

IUPACtris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCC1=CCC([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)=C1
InChIInChI=1S/C43H60Si/c1-14-33-15-16-40(17-33)44(41-21-34(27(2)3)18-35(22-41)28(4)5,42-23-36(29(6)7)19-37(24-42)30(8)9)43-25-38(31(10)11)20-39(26-43)32(12)13/h15,17-32H,14,16H2,1-13H3
InChIKeyYYPPTWJIFRDPCC-UHFFFAOYSA-N
MW605.04 g/mol
LogP11.10
Rot. Bonds11

About tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane

tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 140588480) has the molecular formula C43H60Si and a molecular weight of 605.04 g/mol. Its IUPAC name is tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID140588480
Molecular FormulaC43H60Si
Molecular Weight605.04 g/mol
Exact Mass604.45
IUPAC Nametris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane
SMILESCCC1=CCC([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)=C1
InChIInChI=1S/C43H60Si/c1-14-33-15-16-40(17-33)44(41-21-34(27(2)3)18-35(22-41)28(4)5,42-23-36(29(6)7)19-37(24-42)30(8)9)43-25-38(31(10)11)20-39(26-43)32(12)13/h15,17-32H,14,16H2,1-13H3
InChIKeyYYPPTWJIFRDPCC-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.04
LogP ≤ 511.10
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

(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140589112
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
(3-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-dimethylphenyl)silane
CID 140588244
(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140671836
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140588355
titanium(4+);tris[3,5-di(propan-2-yl)phenyl]-(3-propylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383941
tris[3,5-di(propan-2-yl)phenyl]-(2-propan-2-ylcyclopenta-1,3-dien-1-yl)silane
CID 140588892
(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173384332
tris(4-butylphenyl)-(3-propylcyclopenta-1,3-dien-1-yl)silane
CID 140588491
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris[3,5-di(propan-2-yl)phenyl]silane;titanium(4+);trichloride
CID 173383973
CID 175757661
CID 175757661
magnesium;1,3,5-tri(propan-2-yl)benzene;dibromide
CID 175275405

Frequently Asked Questions

What is the IUPAC name of tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane (CID 140588480) is tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane is CCC1=CCC([Si](c2cc(C(C)C)cc(C(C)C)c2)(c2cc(C(C)C)cc(C(C)C)c2)c2cc(C(C)C)cc(C(C)C)c2)=C1.
What is the InChIKey of tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is YYPPTWJIFRDPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H60Si/c1-14-33-15-16-40(17-33)44(41-21-34(27(2)3)18-35(22-41)28(4)5,42-23-36(29(6)7)19-37(24-42)30(8)9)43-25-38(31(10)11)20-39(26-43)32(12)13/h15,17-32H,14,16H2,1-13H3.
What are the key properties of tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane?
tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 605.04 g/mol, XLogP of 11.10, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[3,5-di(propan-2-yl)phenyl]-(3-ethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 140588480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).