5-chlorocyclopenta-1,3-diene;methanol;titanium

C7H13ClO2Ti — CID 158838864

IUPAC5-chlorocyclopenta-1,3-diene;methanol;titanium
SMILESCO.CO.ClC1C=CC=C1.[Ti]
InChIInChI=1S/C5H5Cl.2CH4O.Ti/c6-5-3-1-2-4-5;2*1-2;/h1-5H;2*2H,1H3;
InChIKeyFOSYIAXQIAOFJT-UHFFFAOYSA-N
MW212.50 g/mol
LogP0.93
Rot. Bonds

About 5-chlorocyclopenta-1,3-diene;methanol;titanium

5-chlorocyclopenta-1,3-diene;methanol;titanium (PubChem CID 158838864) has the molecular formula C7H13ClO2Ti and a molecular weight of 212.50 g/mol. Its IUPAC name is 5-chlorocyclopenta-1,3-diene;methanol;titanium.

Molecular Properties

Compound Name5-chlorocyclopenta-1,3-diene;methanol;titanium
PubChem CID158838864
Molecular FormulaC7H13ClO2Ti
Molecular Weight212.50 g/mol
Exact Mass212.01
IUPAC Name5-chlorocyclopenta-1,3-diene;methanol;titanium
SMILESCO.CO.ClC1C=CC=C1.[Ti]
InChIInChI=1S/C5H5Cl.2CH4O.Ti/c6-5-3-1-2-4-5;2*1-2;/h1-5H;2*2H,1H3;
InChIKeyFOSYIAXQIAOFJT-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.50
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chlorocyclopenta-1,3-diene;methanol;titanium?
The IUPAC name of 5-chlorocyclopenta-1,3-diene;methanol;titanium (CID 158838864) is 5-chlorocyclopenta-1,3-diene;methanol;titanium.
What is the SMILES notation for 5-chlorocyclopenta-1,3-diene;methanol;titanium?
The canonical SMILES for 5-chlorocyclopenta-1,3-diene;methanol;titanium is CO.CO.ClC1C=CC=C1.[Ti].
What is the InChIKey of 5-chlorocyclopenta-1,3-diene;methanol;titanium?
The InChIKey is FOSYIAXQIAOFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl.2CH4O.Ti/c6-5-3-1-2-4-5;2*1-2;/h1-5H;2*2H,1H3;.
What are the key properties of 5-chlorocyclopenta-1,3-diene;methanol;titanium?
5-chlorocyclopenta-1,3-diene;methanol;titanium has a molecular weight of 212.50 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorocyclopenta-1,3-diene;methanol;titanium is sourced from PubChem (CID 158838864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).