4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane

C33H49ScSi2 — CID 173212801

IUPAC4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane
SMILESCc1ccc(C)c2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[CH2-]CCCCC([Si](C)(C)C)[Si](C)(C)C.[Sc+3]
InChIInChI=1S/C12H29Si2.C11H11.C10H9.Sc/c1-8-9-10-11-12(13(2,3)4)14(5,6)7;1-8-6-7-9(2)11-5-3-4-10(8)11;1-8-4-2-5-9-6-3-7-10(8)9;/h12H,1,8-11H2,2-7H3;3-7H,1-2H3;2-7H,1H3;/q3*-1;+3
InChIKeyZCASOSUOQGHBHQ-UHFFFAOYSA-N
MW546.88 g/mol
LogP11.01
Rot. Bonds6

About 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane

4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane (PubChem CID 173212801) has the molecular formula C33H49ScSi2 and a molecular weight of 546.88 g/mol. Its IUPAC name is 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane.

Molecular Properties

Compound Name4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane
PubChem CID173212801
Molecular FormulaC33H49ScSi2
Molecular Weight546.88 g/mol
Exact Mass546.29
IUPAC Name4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane
SMILESCc1ccc(C)c2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[CH2-]CCCCC([Si](C)(C)C)[Si](C)(C)C.[Sc+3]
InChIInChI=1S/C12H29Si2.C11H11.C10H9.Sc/c1-8-9-10-11-12(13(2,3)4)14(5,6)7;1-8-6-7-9(2)11-5-3-4-10(8)11;1-8-4-2-5-9-6-3-7-10(8)9;/h12H,1,8-11H2,2-7H3;3-7H,1-2H3;2-7H,1H3;/q3*-1;+3
InChIKeyZCASOSUOQGHBHQ-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.88
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris(4-methyl-1H-inden-1-ide);tris(titanium(2+));tribromide
CID 19696980
4,7-dimethyl-1H-inden-1-ide;scandium
CID 151166437
4-methyl-1H-inden-1-ide;tris(propan-2-olate);titanium(4+)
CID 19696964
bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
CID 87203456
bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
CID 159766083
bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
CID 175999489
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434
CID 173001615
CID 173001615
bis(4,7-dimethyl-1H-inden-1-ide);bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(titanium(2+));dichloride
CID 21095973
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(4,7-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21096367
dimethylsilylidenezirconium(2+);4-methyl-1H-inden-1-ide;4-phenyl-1H-inden-1-ide;dichloride
CID 18369813
4,7-dimethyl-1H-inden-1-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;penta-1,3-diene;zirconium(2+)
CID 159312058

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane?
The IUPAC name of 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane (CID 173212801) is 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane.
What is the SMILES notation for 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane?
The canonical SMILES for 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane is Cc1ccc(C)c2[cH-]ccc12.Cc1cccc2[cH-]ccc12.[CH2-]CCCCC([Si](C)(C)C)[Si](C)(C)C.[Sc+3].
What is the InChIKey of 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane?
The InChIKey is ZCASOSUOQGHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29Si2.C11H11.C10H9.Sc/c1-8-9-10-11-12(13(2,3)4)14(5,6)7;1-8-6-7-9(2)11-5-3-4-10(8)11;1-8-4-2-5-9-6-3-7-10(8)9;/h12H,1,8-11H2,2-7H3;3-7H,1-2H3;2-7H,1H3;/q3*-1;+3.
What are the key properties of 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane?
4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane has a molecular weight of 546.88 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1H-inden-1-ide;4-methyl-1H-inden-1-ide;scandium(3+);trimethyl(1-trimethylsilylhexyl)silane is sourced from PubChem (CID 173212801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).