(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane

C39H52Si — CID 140588540

IUPAC(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C(C)(C)C)C=CC2)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C39H52Si/c1-10-28-19-29(11-2)23-34(22-28)40(38-18-16-17-37(38)39(7,8)9,35-24-30(12-3)20-31(13-4)25-35)36-26-32(14-5)21-33(15-6)27-36/h16-17,19-27H,10-15,18H2,1-9H3
InChIKeyGCVRNQZAKPDQNN-UHFFFAOYSA-N
MW548.93 g/mol
LogP8.37
Rot. Bonds10

About (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane

(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane (PubChem CID 140588540) has the molecular formula C39H52Si and a molecular weight of 548.93 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane
PubChem CID140588540
Molecular FormulaC39H52Si
Molecular Weight548.93 g/mol
Exact Mass548.38
IUPAC Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane
SMILESCCc1cc(CC)cc([Si](C2=C(C(C)(C)C)C=CC2)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1
InChIInChI=1S/C39H52Si/c1-10-28-19-29(11-2)23-34(22-28)40(38-18-16-17-37(38)39(7,8)9,35-24-30(12-3)20-31(13-4)25-35)36-26-32(14-5)21-33(15-6)27-36/h16-17,19-27H,10-15,18H2,1-9H3
InChIKeyGCVRNQZAKPDQNN-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.93
LogP ≤ 58.37
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

(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane
CID 140589137
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
CID 123467419
titanium(4+);tris(3,5-diethylphenyl)-(2-methylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173384117
tris[3,5-di(propan-2-yl)phenyl]-(2-ethylcyclopenta-1,3-dien-1-yl)silane
CID 140588420
titanium(4+);tris(3,5-diethylphenyl)-(2,4-dimethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173383402
tris(3,5-dimethylphenyl)-(2-propylcyclopenta-1,3-dien-1-yl)silane
CID 123161934
(2-benzylcyclopenta-1,3-dien-1-yl)-tris(3,5-dihexylphenyl)silane
CID 140589095
tris(3,5-dibenzylphenyl)-(2-phenylcyclopenta-1,3-dien-1-yl)silane
CID 173474766
2-tert-butyl-1,3,5-triethylbenzene
CID 140660512
tris(3,5-diethylphenyl)-(2,5-dimethylcyclopenta-1,3-dien-1-yl)silane
CID 140589121
(5-tert-butylcyclopenta-1,4-dien-1-yl)-(3,5-ditert-butylphenyl)-(3,5-diethylphenyl)-(3,5-dimethylphenyl)silane;titanium(4+);trichloride
CID 173473569
lithium;hydride;1,3,5-triethylbenzene
CID 174873379

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane?
The IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane (CID 140588540) is (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane.
What is the SMILES notation for (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane?
The canonical SMILES for (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane is CCc1cc(CC)cc([Si](C2=C(C(C)(C)C)C=CC2)(c2cc(CC)cc(CC)c2)c2cc(CC)cc(CC)c2)c1.
What is the InChIKey of (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane?
The InChIKey is GCVRNQZAKPDQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52Si/c1-10-28-19-29(11-2)23-34(22-28)40(38-18-16-17-37(38)39(7,8)9,35-24-30(12-3)20-31(13-4)25-35)36-26-32(14-5)21-33(15-6)27-36/h16-17,19-27H,10-15,18H2,1-9H3.
What are the key properties of (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane?
(2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane has a molecular weight of 548.93 g/mol, XLogP of 8.37, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3,5-diethylphenyl)silane is sourced from PubChem (CID 140588540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).