bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane

C24H26Cl2Si — CID 141235174

IUPACbis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C(C)=C(Cl)c2ccccc21)C1C(C)=C(Cl)c2ccccc21
InChIInChI=1S/C24H26Cl2Si/c1-5-27(6-2,23-15(3)21(25)17-11-7-9-13-19(17)23)24-16(4)22(26)18-12-8-10-14-20(18)24/h7-14,23-24H,5-6H2,1-4H3
InChIKeyVMWFZOPONYNRQG-UHFFFAOYSA-N
MW413.46 g/mol
LogP8.09
Rot. Bonds4

About bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane

bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane (PubChem CID 141235174) has the molecular formula C24H26Cl2Si and a molecular weight of 413.46 g/mol. Its IUPAC name is bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane.

Molecular Properties

Compound Namebis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
PubChem CID141235174
Molecular FormulaC24H26Cl2Si
Molecular Weight413.46 g/mol
Exact Mass412.12
IUPAC Namebis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
SMILESCC[Si](CC)(C1C(C)=C(Cl)c2ccccc21)C1C(C)=C(Cl)c2ccccc21
InChIInChI=1S/C24H26Cl2Si/c1-5-27(6-2,23-15(3)21(25)17-11-7-9-13-19(17)23)24-16(4)22(26)18-12-8-10-14-20(18)24/h7-14,23-24H,5-6H2,1-4H3
InChIKeyVMWFZOPONYNRQG-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 58.09
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

diethyl-(3-methyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307768
diethyl-(3-phenyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307772
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
bis(3-chloro-2-methyl-1H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane
CID 141006639
3-chloro-1-(3-fluorophenyl)-2-methyl-1H-indene
CID 11276938
dimethyl-(2-methyl-3-propyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158268305
(1R)-1-(4-chlorophenyl)-3-ethoxy-1H-isoindole
CID 129403901
ethane;propane;1,2,3-trimethyl-1H-indene
CID 142448762
chloro-tris(2-methyl-1H-inden-1-yl)silane
CID 54305128
lithium 9-ethyl-9H-fluorene
CID 23225742
ethyl 3-(2-chlorophenyl)-2H-azirine-2-carboxylate
CID 71574107
8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 130030444

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane?
The IUPAC name of bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane (CID 141235174) is bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane.
What is the SMILES notation for bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane?
The canonical SMILES for bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane is CC[Si](CC)(C1C(C)=C(Cl)c2ccccc21)C1C(C)=C(Cl)c2ccccc21.
What is the InChIKey of bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane?
The InChIKey is VMWFZOPONYNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2Si/c1-5-27(6-2,23-15(3)21(25)17-11-7-9-13-19(17)23)24-16(4)22(26)18-12-8-10-14-20(18)24/h7-14,23-24H,5-6H2,1-4H3.
What are the key properties of bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane?
bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane has a molecular weight of 413.46 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane is sourced from PubChem (CID 141235174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).