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

C11H19Cl2OTi — CID 87657395

IUPACmethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H15.CH4O.2ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-2;;;/h1-5H3;2H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeySJZVESPGJFBVHR-UHFFFAOYSA-L
MW286.05 g/mol
LogP-3.27
Rot. Bonds

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

methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride (PubChem CID 87657395) has the molecular formula C11H19Cl2OTi and a molecular weight of 286.05 g/mol. Its IUPAC name is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride.

Molecular Properties

Compound Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride
PubChem CID87657395
Molecular FormulaC11H19Cl2OTi
Molecular Weight286.05 g/mol
Exact Mass285.03
IUPAC Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H15.CH4O.2ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-2;;;/h1-5H3;2H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeySJZVESPGJFBVHR-UHFFFAOYSA-L
XLogP-3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 5-3.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride (CID 87657395) is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride.
What is the SMILES notation for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The canonical SMILES for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride is CC1=[C-]C(C)(C)C(C)=C1C.CO.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride?
The InChIKey is SJZVESPGJFBVHR-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.CH4O.2ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;1-2;;;/h1-5H3;2H,1H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride?
methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride has a molecular weight of 286.05 g/mol, XLogP of -3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride is sourced from PubChem (CID 87657395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).