bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide

C10H11BrTi — CID 19821504

IUPACbis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
SMILES[Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-].[Ti+4]
InChIInChI=1S/2C5H5.BrH.Ti.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H;;/q2*-1;;+4;-1/p-1
InChIKeyKNSPHVIYSVXALK-UHFFFAOYSA-M
MW258.97 g/mol
LogP-0.27
Rot. Bonds

About bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide

bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide (PubChem CID 19821504) has the molecular formula C10H11BrTi and a molecular weight of 258.97 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
PubChem CID19821504
Molecular FormulaC10H11BrTi
Molecular Weight258.97 g/mol
Exact Mass257.95
IUPAC Namebis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
SMILES[Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-].[Ti+4]
InChIInChI=1S/2C5H5.BrH.Ti.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H;;/q2*-1;;+4;-1/p-1
InChIKeyKNSPHVIYSVXALK-UHFFFAOYSA-M
XLogP-0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.97
LogP ≤ 5-0.27
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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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide?
The IUPAC name of bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide (CID 19821504) is bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide.
What is the SMILES notation for bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide?
The canonical SMILES for bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide is [Br-].[C-]1=CC=CC1.[C-]1=CC=CC1.[H-].[Ti+4].
What is the InChIKey of bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide?
The InChIKey is KNSPHVIYSVXALK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.BrH.Ti.H/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;1H;;/q2*-1;;+4;-1/p-1.
What are the key properties of bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide?
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide has a molecular weight of 258.97 g/mol, XLogP of -0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide is sourced from PubChem (CID 19821504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).