1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride

C10H15ClTi — CID 19926069

IUPAC1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Ti+2]
InChIInChI=1S/C10H15.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyPMVHPTLMRUYMGG-UHFFFAOYSA-M
MW218.55 g/mol
LogP0.11
Rot. Bonds

About 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride

1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride (PubChem CID 19926069) has the molecular formula C10H15ClTi and a molecular weight of 218.55 g/mol. Its IUPAC name is 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride.

Molecular Properties

Compound Name1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
PubChem CID19926069
Molecular FormulaC10H15ClTi
Molecular Weight218.55 g/mol
Exact Mass218.03
IUPAC Name1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Ti+2]
InChIInChI=1S/C10H15.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyPMVHPTLMRUYMGG-UHFFFAOYSA-M
XLogP0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.55
LogP ≤ 50.11
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 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
The IUPAC name of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride (CID 19926069) is 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride.
What is the SMILES notation for 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
The canonical SMILES for 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride is CC1=[C-]C(C)(C)C(C)=C1C.[Cl-].[Ti+2].
What is the InChIKey of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
The InChIKey is PMVHPTLMRUYMGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride has a molecular weight of 218.55 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride is sourced from PubChem (CID 19926069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).