bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene

C43H56Cl2Si2 — CID 159242870

IUPACbis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene
SMILESCCC[Si](CC)(C1C=Cc2c(C)ccc(C)c21)C1C=Cc2c(C)ccc(C)c21.Cc1ccc(C)c2c1C=CC2.Cl[Si]1(Cl)CCCCC1
InChIInChI=1S/C27H34Si.C11H12.C5H10Cl2Si/c1-7-17-28(8-2,24-15-13-22-18(3)9-11-20(5)26(22)24)25-16-14-23-19(4)10-12-21(6)27(23)25;1-8-6-7-9(2)11-5-3-4-10(8)11;6-8(7)4-2-1-3-5-8/h9-16,24-25H,7-8,17H2,1-6H3;3-4,6-7H,5H2,1-2H3;1-5H2
InChIKeyKUHSNXWCSNANNX-UHFFFAOYSA-N
MW700.00 g/mol
LogP13.76
Rot. Bonds5

About bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene

bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene (PubChem CID 159242870) has the molecular formula C43H56Cl2Si2 and a molecular weight of 700.00 g/mol. Its IUPAC name is bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene.

Molecular Properties

Compound Namebis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene
PubChem CID159242870
Molecular FormulaC43H56Cl2Si2
Molecular Weight700.00 g/mol
Exact Mass698.33
IUPAC Namebis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene
SMILESCCC[Si](CC)(C1C=Cc2c(C)ccc(C)c21)C1C=Cc2c(C)ccc(C)c21.Cc1ccc(C)c2c1C=CC2.Cl[Si]1(Cl)CCCCC1
InChIInChI=1S/C27H34Si.C11H12.C5H10Cl2Si/c1-7-17-28(8-2,24-15-13-22-18(3)9-11-20(5)26(22)24)25-16-14-23-19(4)10-12-21(6)27(23)25;1-8-6-7-9(2)11-5-3-4-10(8)11;6-8(7)4-2-1-3-5-8/h9-16,24-25H,7-8,17H2,1-6H3;3-4,6-7H,5H2,1-2H3;1-5H2
InChIKeyKUHSNXWCSNANNX-UHFFFAOYSA-N
XLogP13.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.00
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethyl-1H-indene
CID 157466302
dimethyl-bis(7-methyl-3H-inden-4-yl)silane
CID 139707753
4-ethyl-7-methyl-1H-indene;molecular hydrogen
CID 142066088
1-[2-(4,7-dimethyl-1H-inden-1-yl)ethyl]-4,7-dimethyl-1H-indene
CID 11834008
(1R)-1-[2-[(1R)-4,7-dimethyl-1H-inden-1-yl]ethyl]-4,7-dimethyl-1H-indene
CID 100983352
(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 134945146
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
4,7-dimethyl-1-[(4-methylphenyl)methyl]-1H-indene
CID 141475753
4,7-dimethyl-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 175181293
(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 135026635
1-(4-methylphenyl)-1-propylsilinane
CID 22400994
4,7-dimethyl-1-phenyl-1H-indene
CID 86724422

Frequently Asked Questions

What is the IUPAC name of bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene?
The IUPAC name of bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene (CID 159242870) is bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene.
What is the SMILES notation for bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene?
The canonical SMILES for bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene is CCC[Si](CC)(C1C=Cc2c(C)ccc(C)c21)C1C=Cc2c(C)ccc(C)c21.Cc1ccc(C)c2c1C=CC2.Cl[Si]1(Cl)CCCCC1.
What is the InChIKey of bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene?
The InChIKey is KUHSNXWCSNANNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Si.C11H12.C5H10Cl2Si/c1-7-17-28(8-2,24-15-13-22-18(3)9-11-20(5)26(22)24)25-16-14-23-19(4)10-12-21(6)27(23)25;1-8-6-7-9(2)11-5-3-4-10(8)11;6-8(7)4-2-1-3-5-8/h9-16,24-25H,7-8,17H2,1-6H3;3-4,6-7H,5H2,1-2H3;1-5H2.
What are the key properties of bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene?
bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene has a molecular weight of 700.00 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-dimethyl-1H-inden-1-yl)-ethyl-propylsilane;1,1-dichlorosilinane;4,7-dimethyl-1H-indene is sourced from PubChem (CID 159242870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).