(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane

C31H36Si — CID 140852131

IUPAC(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane
SMILESCC1=CC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1
InChIInChI=1S/C31H36Si/c1-20-9-21(2)14-28(13-20)32(31-19-26(7)12-27(31)8,29-15-22(3)10-23(4)16-29)30-17-24(5)11-25(6)18-30/h9-19,31H,1-8H3
InChIKeyGGTHKXUPAFCRCE-UHFFFAOYSA-N
MW436.72 g/mol
LogP6.28
Rot. Bonds4

About (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane

(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane (PubChem CID 140852131) has the molecular formula C31H36Si and a molecular weight of 436.72 g/mol. Its IUPAC name is (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane.

Molecular Properties

Compound Name(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane
PubChem CID140852131
Molecular FormulaC31H36Si
Molecular Weight436.72 g/mol
Exact Mass436.26
IUPAC Name(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane
SMILESCC1=CC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1
InChIInChI=1S/C31H36Si/c1-20-9-21(2)14-28(13-20)32(31-19-26(7)12-27(31)8,29-15-22(3)10-23(4)16-29)30-17-24(5)11-25(6)18-30/h9-19,31H,1-8H3
InChIKeyGGTHKXUPAFCRCE-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 56.28
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

trichloro-(3,5-dimethylphenyl)silane
CID 68659977
(3,5-dimethylphenyl)-dimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 173384278
cyclohexyl-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-methyl-phenylsilane
CID 174668559
bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
chloro-bis(3,5-dimethylphenyl)-methylsilane
CID 66990238
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 141479779
tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 160723764
ethane;1,3,5,6-tetramethylcyclohexa-1,3-diene
CID 142929908
tert-butyl-tris(3,5-dimethylphenyl)silane
CID 140882065

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The IUPAC name of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane (CID 140852131) is (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane.
What is the SMILES notation for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The canonical SMILES for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane is CC1=CC([Si](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)C(C)=C1.
What is the InChIKey of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
The InChIKey is GGTHKXUPAFCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Si/c1-20-9-21(2)14-28(13-20)32(31-19-26(7)12-27(31)8,29-15-22(3)10-23(4)16-29)30-17-24(5)11-25(6)18-30/h9-19,31H,1-8H3.
What are the key properties of (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane?
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane has a molecular weight of 436.72 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane is sourced from PubChem (CID 140852131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).