ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide

C20H26Br2Ti — CID 172713448

IUPACethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide
SMILESC=C.[Br-].[Br-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.C2H4.2BrH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*3,6-7H,1-2,4-5H2;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyAILADPDDGVTVFR-UHFFFAOYSA-L
MW474.10 g/mol
LogP-0.62
Rot. Bonds

About ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide

ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide (PubChem CID 172713448) has the molecular formula C20H26Br2Ti and a molecular weight of 474.10 g/mol. Its IUPAC name is ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide.

Molecular Properties

Compound Nameethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide
PubChem CID172713448
Molecular FormulaC20H26Br2Ti
Molecular Weight474.10 g/mol
Exact Mass471.99
IUPAC Nameethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide
SMILESC=C.[Br-].[Br-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.C2H4.2BrH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*3,6-7H,1-2,4-5H2;1-2H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyAILADPDDGVTVFR-UHFFFAOYSA-L
XLogP-0.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.10
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide?
The IUPAC name of ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide (CID 172713448) is ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide.
What is the SMILES notation for ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide?
The canonical SMILES for ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide is C=C.[Br-].[Br-].[Ti+4].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide?
The InChIKey is AILADPDDGVTVFR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H11.C2H4.2BrH.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-2;;;/h2*3,6-7H,1-2,4-5H2;1-2H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide?
ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide has a molecular weight of 474.10 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);titanium(4+);dibromide is sourced from PubChem (CID 172713448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).