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

C16H24Ti — CID 21256119

IUPACbis(cyclopenta-1,3-diene);propane;titanium(4+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CC.[CH2-]CC.[Ti+4]
InChIInChI=1S/2C5H5.2C3H7.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-3H,4H2;2*1,3H2,2H3;/q4*-1;+4
InChIKeyRKVANUKQXGNPHE-UHFFFAOYSA-N
MW264.24 g/mol
LogP5.07
Rot. Bonds

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

bis(cyclopenta-1,3-diene);propane;titanium(4+) (PubChem CID 21256119) has the molecular formula C16H24Ti and a molecular weight of 264.24 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);propane;titanium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);propane;titanium(4+)
PubChem CID21256119
Molecular FormulaC16H24Ti
Molecular Weight264.24 g/mol
Exact Mass264.14
IUPAC Namebis(cyclopenta-1,3-diene);propane;titanium(4+)
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CC.[CH2-]CC.[Ti+4]
InChIInChI=1S/2C5H5.2C3H7.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-3H,4H2;2*1,3H2,2H3;/q4*-1;+4
InChIKeyRKVANUKQXGNPHE-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.24
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);propane;titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
butane;bis(cyclopenta-1,3-diene);iron(3+)
CID 19900891
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
butane;carbanide;cyclopenta-1,3-diene;manganese(3+)
CID 174921078
butane;cyclopenta-1,3-diene;zirconium(2+);dichloride
CID 87301075
butane;cyclopenta-1,3-diene;hafnium;trihydrochloride
CID 173097750
chloromethane;cyclopenta-1,3-diene;tungsten(2+)
CID 175390144
butane;bis(cyclopenta-1,3-diene);zirconium(2+);dichloride
CID 87126430
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
butane;bis(cyclopenta-1,3-diene);2-methylpropane;bis(zirconium(2+));hexahydrochloride
CID 175602959
bis(cyclopenta-1,3-diene);hydride;titanium(4+);bromide
CID 19821504

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);propane;titanium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);propane;titanium(4+) (CID 21256119) is bis(cyclopenta-1,3-diene);propane;titanium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);propane;titanium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);propane;titanium(4+) is [C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]CC.[CH2-]CC.[Ti+4].
What is the InChIKey of bis(cyclopenta-1,3-diene);propane;titanium(4+)?
The InChIKey is RKVANUKQXGNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C3H7.Ti/c2*1-2-4-5-3-1;2*1-3-2;/h2*1-3H,4H2;2*1,3H2,2H3;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);propane;titanium(4+)?
bis(cyclopenta-1,3-diene);propane;titanium(4+) has a molecular weight of 264.24 g/mol, XLogP of 5.07, 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);propane;titanium(4+) is sourced from PubChem (CID 21256119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).