1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride

C12H13Cl2Ti — CID 174711446

IUPAC1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
SMILESCCCC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H13.2ClH.Ti/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-7,9-10H,2,5H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyVYIHOEBWOHVZLB-UHFFFAOYSA-L
MW276.01 g/mol
LogP-2.59
Rot. Bonds2

About 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride

1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride (PubChem CID 174711446) has the molecular formula C12H13Cl2Ti and a molecular weight of 276.01 g/mol. Its IUPAC name is 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride.

Molecular Properties

Compound Name1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
PubChem CID174711446
Molecular FormulaC12H13Cl2Ti
Molecular Weight276.01 g/mol
Exact Mass274.99
IUPAC Name1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
SMILESCCCC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C12H13.2ClH.Ti/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-7,9-10H,2,5H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyVYIHOEBWOHVZLB-UHFFFAOYSA-L
XLogP-2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.01
LogP ≤ 5-2.59
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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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride?
The IUPAC name of 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride (CID 174711446) is 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride.
What is the SMILES notation for 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride?
The canonical SMILES for 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride is CCCC1[C-]=Cc2ccccc21.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride?
The InChIKey is VYIHOEBWOHVZLB-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H13.2ClH.Ti/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;;;/h3-4,6-7,9-10H,2,5H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride?
1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride has a molecular weight of 276.01 g/mol, XLogP of -2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride is sourced from PubChem (CID 174711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).