bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride

C22H22ClSc — CID 174370815

IUPACbis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Sc+3]
InChIInChI=1S/2C11H11.ClH.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;/h2*3-8H,2H2,1H3;1H;/q2*-1;;+3/p-1
InChIKeyXGYQCKNTBWRMNF-UHFFFAOYSA-M
MW366.83 g/mol
LogP3.24
Rot. Bonds2

About bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride

bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride (PubChem CID 174370815) has the molecular formula C22H22ClSc and a molecular weight of 366.83 g/mol. Its IUPAC name is bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride.

Molecular Properties

Compound Namebis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
PubChem CID174370815
Molecular FormulaC22H22ClSc
Molecular Weight366.83 g/mol
Exact Mass366.10
IUPAC Namebis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Sc+3]
InChIInChI=1S/2C11H11.ClH.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;/h2*3-8H,2H2,1H3;1H;/q2*-1;;+3/p-1
InChIKeyXGYQCKNTBWRMNF-UHFFFAOYSA-M
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
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CID 172728352
CID 172721451
CID 172721451
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
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CID 174221085
diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
CID 158143792
2-ethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172692568
bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
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Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride?
The IUPAC name of bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride (CID 174370815) is bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride.
What is the SMILES notation for bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride?
The canonical SMILES for bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Sc+3].
What is the InChIKey of bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride?
The InChIKey is XGYQCKNTBWRMNF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C11H11.ClH.Sc/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;;/h2*3-8H,2H2,1H3;1H;/q2*-1;;+3/p-1.
What are the key properties of bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride?
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride has a molecular weight of 366.83 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride is sourced from PubChem (CID 174370815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).