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

C14H20Ti — CID 140973450

IUPACbis(cyclopenta-1,3-diene);ethane;titanium(4+)
SMILESC[CH2-].C[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti+4]
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
MW236.17 g/mol
LogP—
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 236.17 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 Weight236.17 g/mol
Exact Mass236.10
IUPAC Namebis(cyclopenta-1,3-diene);ethane;titanium(4+)
SMILESC[CH2-].C[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti+4]
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
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity53

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nickelocene
CID 62390
Titanocene dichloride
CID 76030824
Chromocene
CID 79154
Cobaltocene
CID 92884
Bis(cyclopentadienyl)vanadium chloride
CID 82917
Bis(cyclopentadienyl)cobalt
CID 12425850
Dichlorobis(eta5-2,4-cyclopentadien-1-yl)vanadium
CID 76030732
Zirconocene, dichloride
CID 102092
mu-Methylene-mu-chlorobis(eta5-2,4-cyclopentadien-1-yl)(dimethylaluminum)titanium
CID 91617563
Bis(eta-cyclopentadienyl) iron
CID 7611
Bis(cyclopentadienyl)magnesium
CID 24942211
Hafnocene dichloride
CID 53384553

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 C[CH2-].C[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti+4].
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 236.17 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 4 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).