(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C29H40Si — CID 173473039

IUPAC(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](CC(C)C)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C29H40Si/c1-9-25-16-26(10-2)18-28(17-25)30(20-21(3)4,27-14-12-11-13-15-27)29(8)19-22(5)23(6)24(29)7/h11-19,21H,9-10,20H2,1-8H3
InChIKeyWVSBZDFTSMVZLJ-UHFFFAOYSA-N
MW416.73 g/mol
LogP7.09
Rot. Bonds7

About (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473039) has the molecular formula C29H40Si and a molecular weight of 416.73 g/mol. Its IUPAC name is (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473039
Molecular FormulaC29H40Si
Molecular Weight416.73 g/mol
Exact Mass416.29
IUPAC Name(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCCc1cc(CC)cc([Si](CC(C)C)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)c1
InChIInChI=1S/C29H40Si/c1-9-25-16-26(10-2)18-28(17-25)30(20-21(3)4,27-14-12-11-13-15-27)29(8)19-22(5)23(6)24(29)7/h11-19,21H,9-10,20H2,1-8H3
InChIKeyWVSBZDFTSMVZLJ-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.73
LogP ≤ 57.09
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

(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
methyl-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473069
(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473760
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473518
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173473602
bis(3,5-diethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(4+)
CID 173472964
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
tris[3,5-bis[(2,4,6-trimethylphenyl)methyl]phenyl]-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473425
carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
CID 173473304
tris(4-methoxyphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474365

Frequently Asked Questions

What is the IUPAC name of (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473039) is (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CCc1cc(CC)cc([Si](CC(C)C)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)c1.
What is the InChIKey of (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is WVSBZDFTSMVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Si/c1-9-25-16-26(10-2)18-28(17-25)30(20-21(3)4,27-14-12-11-13-15-27)29(8)19-22(5)23(6)24(29)7/h11-19,21H,9-10,20H2,1-8H3.
What are the key properties of (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 416.73 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).