ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

C11H18Ti — CID 18925878

IUPACethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]C.[Ti+2]
InChIInChI=1S/C9H13.C2H5.Ti/c1-6-5-7(2)9(4)8(6)3;1-2;/h6H,1-4H3;1H2,2H3;/q2*-1;+2
InChIKeyOQJGLDKPGRTVFK-UHFFFAOYSA-N
MW198.13 g/mol
LogP3.56
Rot. Bonds

About ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)

ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 18925878) has the molecular formula C11H18Ti and a molecular weight of 198.13 g/mol. Its IUPAC name is ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Nameethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID18925878
Molecular FormulaC11H18Ti
Molecular Weight198.13 g/mol
Exact Mass198.09
IUPAC Nameethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]C.[Ti+2]
InChIInChI=1S/C9H13.C2H5.Ti/c1-6-5-7(2)9(4)8(6)3;1-2;/h6H,1-4H3;1H2,2H3;/q2*-1;+2
InChIKeyOQJGLDKPGRTVFK-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 53.56
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 ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) (CID 18925878) is ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is CC1=[C-]C(C)C(C)=C1C.[CH2-]C.[Ti+2].
What is the InChIKey of ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is OQJGLDKPGRTVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C2H5.Ti/c1-6-5-7(2)9(4)8(6)3;1-2;/h6H,1-4H3;1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)?
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 198.13 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 18925878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).