Dimethylbis(methylcyclopentadienyl)titanium

C14H20Ti — CID 21256036

IUPACcarbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
SMILES[CH3-].[CH3-].CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Ti+4]
InChIInChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4
InChIKeyFUFZOELDGPUUIU-UHFFFAOYSA-N
MW236.17 g/mol
LogP—
Rot. Bonds

About Dimethylbis(methylcyclopentadienyl)titanium

Dimethylbis(methylcyclopentadienyl)titanium (PubChem CID 21256036) has the molecular formula C14H20Ti and a molecular weight of 236.17 g/mol. Its IUPAC name is carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+).

Molecular Properties

Compound NameDimethylbis(methylcyclopentadienyl)titanium
PubChem CID21256036
Molecular FormulaC14H20Ti
Molecular Weight236.17 g/mol
Exact Mass236.10
IUPAC Namecarbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+)
SMILES[CH3-].[CH3-].CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Ti+4]
InChIInChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4
InChIKeyFUFZOELDGPUUIU-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity227

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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
Dimethylhexadiene
CID 6365525
Ocimene
CID 6434062
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Alloocimene, (4E,6Z)-
CID 5371125
Artemisia triene
CID 5320377
Cosmene
CID 5368451
3,5,7-Trimethyl-2E,4E,6E,8E-decatetraene
CID 14656044

Frequently Asked Questions

What is the IUPAC name of Dimethylbis(methylcyclopentadienyl)titanium?
The IUPAC name of Dimethylbis(methylcyclopentadienyl)titanium (CID 21256036) is carbanide;bis(2-methylcyclopenta-1,3-diene);titanium(4+).
What is the SMILES notation for Dimethylbis(methylcyclopentadienyl)titanium?
The canonical SMILES for Dimethylbis(methylcyclopentadienyl)titanium is [CH3-].[CH3-].CC1=[C-]CC=C1.CC1=[C-]CC=C1.[Ti+4].
What is the InChIKey of Dimethylbis(methylcyclopentadienyl)titanium?
The InChIKey is FUFZOELDGPUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.2CH3.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H3;/q4*-1;+4.
What are the key properties of Dimethylbis(methylcyclopentadienyl)titanium?
Dimethylbis(methylcyclopentadienyl)titanium 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 Dimethylbis(methylcyclopentadienyl)titanium is sourced from PubChem (CID 21256036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).