(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C21H32Si — CID 141479779

IUPAC(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(c1cc(C)cc(C)c1)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C21H32Si/c1-9-22(10-2,20-12-14(3)11-15(4)13-20)21-18(7)16(5)17(6)19(21)8/h11-13,21H,9-10H2,1-8H3
InChIKeyXMKXTHKPYJKSOF-UHFFFAOYSA-N
MW312.57 g/mol
LogP6.06
Rot. Bonds4

About (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 141479779) has the molecular formula C21H32Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID141479779
Molecular FormulaC21H32Si
Molecular Weight312.57 g/mol
Exact Mass312.23
IUPAC Name(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC[Si](CC)(c1cc(C)cc(C)c1)C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C21H32Si/c1-9-22(10-2,20-12-14(3)11-15(4)13-20)21-18(7)16(5)17(6)19(21)8/h11-13,21H,9-10H2,1-8H3
InChIKeyXMKXTHKPYJKSOF-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(3,5-dimethylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748108
tris[3,5-bis(3,5-dimethylphenyl)phenyl]-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 160723764
(3-tert-butyl-2-methoxy-5-methylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 87556260
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
ditert-butyl-(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473115
trichloro-(3,5-dimethylphenyl)silane
CID 68659977
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
tris(3,5-dibenzyl-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158764980
(2,4-dimethylcyclopenta-2,4-dien-1-yl)-tris(3,5-dimethylphenyl)silane
CID 140852131

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 141479779) is (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC[Si](CC)(c1cc(C)cc(C)c1)C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is XMKXTHKPYJKSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32Si/c1-9-22(10-2,20-12-14(3)11-15(4)13-20)21-18(7)16(5)17(6)19(21)8/h11-13,21H,9-10H2,1-8H3.
What are the key properties of (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-diethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 141479779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).