1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium

C10H16Cl3Ti — CID 74765453

IUPAC1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
SMILESCC1=C(C)C(C)C(C)=C1C.Cl[Ti](Cl)Cl
InChIInChI=1S/C10H16.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h6H,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyWJQVSRDRCUYMLT-UHFFFAOYSA-K
MW290.46 g/mol
LogP5.37
Rot. Bonds

About 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium

1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium (PubChem CID 74765453) has the molecular formula C10H16Cl3Ti and a molecular weight of 290.46 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium.

Molecular Properties

Compound Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
PubChem CID74765453
Molecular FormulaC10H16Cl3Ti
Molecular Weight290.46 g/mol
Exact Mass288.98
IUPAC Name1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium
SMILESCC1=C(C)C(C)C(C)=C1C.Cl[Ti](Cl)Cl
InChIInChI=1S/C10H16.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h6H,1-5H3;3*1H;/q;;;;+3/p-3
InChIKeyWJQVSRDRCUYMLT-UHFFFAOYSA-K
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.46
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium?
The IUPAC name of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium (CID 74765453) is 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium.
What is the SMILES notation for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium?
The canonical SMILES for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium is CC1=C(C)C(C)C(C)=C1C.Cl[Ti](Cl)Cl.
What is the InChIKey of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium?
The InChIKey is WJQVSRDRCUYMLT-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H16.3ClH.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h6H,1-5H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium?
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium has a molecular weight of 290.46 g/mol, XLogP of 5.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorotitanium is sourced from PubChem (CID 74765453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).