(Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%

C13H24Ti — CID 56846032

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C10H15.3CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H3;/q;3*-1;+3
InChIKeyURQIVZBTTCUDJZ-UHFFFAOYSA-N
MW228.20 g/mol
LogP4.62
Rot. Bonds

About (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%

(Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97% (PubChem CID 56846032) has the molecular formula C13H24Ti and a molecular weight of 228.20 g/mol.

Molecular Properties

Compound Name(Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%
PubChem CID56846032
Molecular FormulaC13H24Ti
Molecular Weight228.20 g/mol
Exact Mass228.14
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C10H15.3CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H3;/q;3*-1;+3
InChIKeyURQIVZBTTCUDJZ-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 54.62
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 (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%?
The IUPAC name of (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97% (CID 56846032) is not available.
What is the SMILES notation for (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%?
The canonical SMILES for (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97% is C[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-].[CH3-].[Ti+3].
What is the InChIKey of (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%?
The InChIKey is URQIVZBTTCUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3CH3.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H3;/q;3*-1;+3.
What are the key properties of (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%?
(Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97% has a molecular weight of 228.20 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97% is sourced from PubChem (CID 56846032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).