bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane

C28H34Cl2Si — CID 141041106

IUPACbis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane
SMILESCCC1=C(Cl)c2c(CC)cccc2C1[Si](C)(C)C1C(CC)=C(Cl)c2c(CC)cccc21
InChIInChI=1S/C28H34Cl2Si/c1-7-17-13-11-15-21-23(17)25(29)19(9-3)27(21)31(5,6)28-20(10-4)26(30)24-18(8-2)14-12-16-22(24)28/h11-16,27-28H,7-10H2,1-6H3
InChIKeyOWDBAYBBVXMTJR-UHFFFAOYSA-N
MW469.57 g/mol
LogP9.21
Rot. Bonds6

About bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane

bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 141041106) has the molecular formula C28H34Cl2Si and a molecular weight of 469.57 g/mol. Its IUPAC name is bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane
PubChem CID141041106
Molecular FormulaC28H34Cl2Si
Molecular Weight469.57 g/mol
Exact Mass468.18
IUPAC Namebis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane
SMILESCCC1=C(Cl)c2c(CC)cccc2C1[Si](C)(C)C1C(CC)=C(Cl)c2c(CC)cccc21
InChIInChI=1S/C28H34Cl2Si/c1-7-17-13-11-15-21-23(17)25(29)19(9-3)27(21)31(5,6)28-20(10-4)26(30)24-18(8-2)14-12-16-22(24)28/h11-16,27-28H,7-10H2,1-6H3
InChIKeyOWDBAYBBVXMTJR-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane (CID 141041106) is bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane is CCC1=C(Cl)c2c(CC)cccc2C1[Si](C)(C)C1C(CC)=C(Cl)c2c(CC)cccc21.
What is the InChIKey of bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is OWDBAYBBVXMTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2Si/c1-7-17-13-11-15-21-23(17)25(29)19(9-3)27(21)31(5,6)28-20(10-4)26(30)24-18(8-2)14-12-16-22(24)28/h11-16,27-28H,7-10H2,1-6H3.
What are the key properties of bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane?
bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 469.57 g/mol, XLogP of 9.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 141041106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).