2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)

C20H20SiTi — CID 161494511

IUPAC2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
SMILESCc1[cH-]c2ccccc2c1C.[SiH2]=[Ti+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C11H11.C9H7.H2Si.Ti/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;/h3-7H,1-2H3;1-7H;1H2;/q2*-1;;+2
InChIKeyOAIALZXJTNPOBF-UHFFFAOYSA-N
MW336.33 g/mol
LogP4.82
Rot. Bonds

About 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)

2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+) (PubChem CID 161494511) has the molecular formula C20H20SiTi and a molecular weight of 336.33 g/mol. Its IUPAC name is 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+).

Molecular Properties

Compound Name2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
PubChem CID161494511
Molecular FormulaC20H20SiTi
Molecular Weight336.33 g/mol
Exact Mass336.08
IUPAC Name2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
SMILESCc1[cH-]c2ccccc2c1C.[SiH2]=[Ti+2].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C11H11.C9H7.H2Si.Ti/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;/h3-7H,1-2H3;1-7H;1H2;/q2*-1;;+2
InChIKeyOAIALZXJTNPOBF-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)?
The IUPAC name of 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+) (CID 161494511) is 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+).
What is the SMILES notation for 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)?
The canonical SMILES for 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+) is Cc1[cH-]c2ccccc2c1C.[SiH2]=[Ti+2].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)?
The InChIKey is OAIALZXJTNPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.C9H7.H2Si.Ti/c1-8-7-10-5-3-4-6-11(10)9(8)2;1-2-5-9-7-3-6-8(9)4-1;;/h3-7H,1-2H3;1-7H;1H2;/q2*-1;;+2.
What are the key properties of 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)?
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+) has a molecular weight of 336.33 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+) is sourced from PubChem (CID 161494511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).