1-ethylinden-1-ide;titanium;dihydrobromide

C11H13Br2Ti- — CID 174711611

IUPAC1-ethylinden-1-ide;titanium;dihydrobromide
SMILESBr.Br.CC[c-]1ccc2ccccc21.[Ti]
InChIInChI=1S/C11H11.2BrH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;
InChIKeyOYAARRNLYOQQAT-UHFFFAOYSA-N
MW352.90 g/mol
LogP4.27
Rot. Bonds1

About 1-ethylinden-1-ide;titanium;dihydrobromide

1-ethylinden-1-ide;titanium;dihydrobromide (PubChem CID 174711611) has the molecular formula C11H13Br2Ti- and a molecular weight of 352.90 g/mol. Its IUPAC name is 1-ethylinden-1-ide;titanium;dihydrobromide.

Molecular Properties

Compound Name1-ethylinden-1-ide;titanium;dihydrobromide
PubChem CID174711611
Molecular FormulaC11H13Br2Ti-
Molecular Weight352.90 g/mol
Exact Mass350.89
IUPAC Name1-ethylinden-1-ide;titanium;dihydrobromide
SMILESBr.Br.CC[c-]1ccc2ccccc21.[Ti]
InChIInChI=1S/C11H11.2BrH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;
InChIKeyOYAARRNLYOQQAT-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.90
LogP ≤ 54.27
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

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diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
CID 88592866
1-(1H-inden-1-id-2-ylmethyl)inden-1-ide;zirconium(4+);dichloride
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ethane;naphthalene;propane
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1-phenylinden-1-ide;zirconium;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-ethylinden-1-ide;titanium;dihydrobromide?
The IUPAC name of 1-ethylinden-1-ide;titanium;dihydrobromide (CID 174711611) is 1-ethylinden-1-ide;titanium;dihydrobromide.
What is the SMILES notation for 1-ethylinden-1-ide;titanium;dihydrobromide?
The canonical SMILES for 1-ethylinden-1-ide;titanium;dihydrobromide is Br.Br.CC[c-]1ccc2ccccc21.[Ti].
What is the InChIKey of 1-ethylinden-1-ide;titanium;dihydrobromide?
The InChIKey is OYAARRNLYOQQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.2BrH.Ti/c1-2-9-7-8-10-5-3-4-6-11(9)10;;;/h3-8H,2H2,1H3;2*1H;/q-1;;;.
What are the key properties of 1-ethylinden-1-ide;titanium;dihydrobromide?
1-ethylinden-1-ide;titanium;dihydrobromide has a molecular weight of 352.90 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylinden-1-ide;titanium;dihydrobromide is sourced from PubChem (CID 174711611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).