1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride

C9H14Cl3Ti — CID 131674871

IUPAC1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
SMILESCC1=CC(C)=C(C)C1C.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C9H14.3ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5,8H,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyGXKVHZVKFPOJIQ-UHFFFAOYSA-K
MW276.44 g/mol
LogP-6.07
Rot. Bonds

About 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride

1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride (PubChem CID 131674871) has the molecular formula C9H14Cl3Ti and a molecular weight of 276.44 g/mol. Its IUPAC name is 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride.

Molecular Properties

Compound Name1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
PubChem CID131674871
Molecular FormulaC9H14Cl3Ti
Molecular Weight276.44 g/mol
Exact Mass274.96
IUPAC Name1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride
SMILESCC1=CC(C)=C(C)C1C.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C9H14.3ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5,8H,1-4H3;3*1H;/q;;;;+3/p-3
InChIKeyGXKVHZVKFPOJIQ-UHFFFAOYSA-K
XLogP-6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 5-6.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dimethyl-bis[(1S)-2,3,5-trimethylcyclopenta-2,4-dien-1-yl]silane
CID 100952067
bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride
CID 173316338
(3,4,5-trimethylcyclopenta-1,3-dien-1-yl) acetate
CID 138976903
5,6-dimethyl-5H-cyclopenta[b]pyridine
CID 12646115
4,5,6-trimethyl-5H-cyclopenta[b]pyridine
CID 162141409
triphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 140852226
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
(4S)-3,4-dimethylcyclopent-2-en-1-one
CID 86310528
2,3-dimethylcyclopropen-1-ol
CID 58816589
(4,5,6-trimethylcyclohexa-2,4-dien-1-ylidene)methanone;vanadium
CID 174806990
2,4-dimethyl-5H-1,2-oxazol-5-ol
CID 147164139
phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone
CID 23015157

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride?
The IUPAC name of 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride (CID 131674871) is 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride.
What is the SMILES notation for 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride?
The canonical SMILES for 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride is CC1=CC(C)=C(C)C1C.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride?
The InChIKey is GXKVHZVKFPOJIQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H14.3ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5,8H,1-4H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride?
1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride has a molecular weight of 276.44 g/mol, XLogP of -6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylcyclopenta-1,3-diene;titanium(3+);trichloride is sourced from PubChem (CID 131674871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).