carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene

C11H20Ti — CID 22133461

IUPACcarbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C8H11.3CH3.Ti/c1-6-4-5-7(2)8(6)3;;;;/h4H2,1-3H3;3*1H3;/q4*-1;+4
InChIKeyGETOKHQLXOPINB-UHFFFAOYSA-N
MW200.15 g/mol
LogP3.82
Rot. Bonds

About carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene

carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene (PubChem CID 22133461) has the molecular formula C11H20Ti and a molecular weight of 200.15 g/mol. Its IUPAC name is carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene
PubChem CID22133461
Molecular FormulaC11H20Ti
Molecular Weight200.15 g/mol
Exact Mass200.10
IUPAC Namecarbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene
SMILESCC1=[C-]CC(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C8H11.3CH3.Ti/c1-6-4-5-7(2)8(6)3;;;;/h4H2,1-3H3;3*1H3;/q4*-1;+4
InChIKeyGETOKHQLXOPINB-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 53.82
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 carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene (CID 22133461) is carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene is CC1=[C-]CC(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene?
The InChIKey is GETOKHQLXOPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11.3CH3.Ti/c1-6-4-5-7(2)8(6)3;;;;/h4H2,1-3H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene?
carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene has a molecular weight of 200.15 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;titanium(4+);1,2,3-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 22133461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).