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

C14H20Ti — CID 140973450

IUPACbis(cyclopenta-1,3-diene);ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C2H5.Ti/c2*1-2-4-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4
InChIKeyHQKRQSXKAHZEAZ-UHFFFAOYSA-N
MW236.18 g/mol
LogP4.49
Rot. Bonds

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

bis(cyclopenta-1,3-diene);ethane;titanium(4+) (PubChem CID 140973450) has the molecular formula C14H20Ti and a molecular weight of 236.18 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);ethane;titanium(4+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);ethane;titanium(4+)
PubChem CID140973450
Molecular FormulaC14H20Ti
Molecular Weight236.18 g/mol
Exact Mass236.10
IUPAC Namebis(cyclopenta-1,3-diene);ethane;titanium(4+)
SMILES[CH2-]C.[CH2-]C.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2C2H5.Ti/c2*1-2-4-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4
InChIKeyHQKRQSXKAHZEAZ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 54.49
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

cyclopenta-1,3-diene;ethane;ruthenium(2+)
CID 141259751
bis(cyclopenta-1,3-diene);ethane;iron(4+)
CID 151124336
cyclopenta-1,3-diene;ethane;titanium(3+)
CID 154448215
cobalt(2+);cyclopenta-1,3-diene;ethane
CID 140891740
cyclopenta-1,3-diene;ethane;hydride;methanone;tungsten
CID 175527231
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);gold
CID 140990202
cyclopenta-1,3-diene;tetramethylazanium
CID 134880327
cyclopenta-1,3-diene;bis(2-methanidyl-2-methylpropane);zirconium(3+)
CID 158830131
bis(cyclopenta-1,3-diene);zirconium;zirconium(2+)
CID 159549094

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);ethane;titanium(4+)?
The IUPAC name of bis(cyclopenta-1,3-diene);ethane;titanium(4+) (CID 140973450) is bis(cyclopenta-1,3-diene);ethane;titanium(4+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);ethane;titanium(4+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);ethane;titanium(4+) is [CH2-]C.[CH2-]C.[Ti+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);ethane;titanium(4+)?
The InChIKey is HQKRQSXKAHZEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C2H5.Ti/c2*1-2-4-5-3-1;2*1-2;/h2*1-5H;2*1H2,2H3;/q4*-1;+4.
What are the key properties of bis(cyclopenta-1,3-diene);ethane;titanium(4+)?
bis(cyclopenta-1,3-diene);ethane;titanium(4+) has a molecular weight of 236.18 g/mol, XLogP of 4.49, 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);ethane;titanium(4+) is sourced from PubChem (CID 140973450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).