propane;titanium(2+);dihydrate

C6H18O2Ti — CID 164789327

IUPACpropane;titanium(2+);dihydrate
SMILESO.O.[CH2-]CC.[CH2-]CC.[Ti+2]
InChIInChI=1S/2C3H7.2H2O.Ti/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H2;/q2*-1;;;+2
InChIKeyJZLIYHLLBWUMPL-UHFFFAOYSA-N
MW170.07 g/mol
LogP0.81
Rot. Bonds

About propane;titanium(2+);dihydrate

propane;titanium(2+);dihydrate (PubChem CID 164789327) has the molecular formula C6H18O2Ti and a molecular weight of 170.07 g/mol. Its IUPAC name is propane;titanium(2+);dihydrate.

Molecular Properties

Compound Namepropane;titanium(2+);dihydrate
PubChem CID164789327
Molecular FormulaC6H18O2Ti
Molecular Weight170.07 g/mol
Exact Mass170.08
IUPAC Namepropane;titanium(2+);dihydrate
SMILESO.O.[CH2-]CC.[CH2-]CC.[Ti+2]
InChIInChI=1S/2C3H7.2H2O.Ti/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H2;/q2*-1;;;+2
InChIKeyJZLIYHLLBWUMPL-UHFFFAOYSA-N
XLogP0.81
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.07
LogP ≤ 50.81
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propane;titanium(2+);dihydrate?
The IUPAC name of propane;titanium(2+);dihydrate (CID 164789327) is propane;titanium(2+);dihydrate.
What is the SMILES notation for propane;titanium(2+);dihydrate?
The canonical SMILES for propane;titanium(2+);dihydrate is O.O.[CH2-]CC.[CH2-]CC.[Ti+2].
What is the InChIKey of propane;titanium(2+);dihydrate?
The InChIKey is JZLIYHLLBWUMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7.2H2O.Ti/c2*1-3-2;;;/h2*1,3H2,2H3;2*1H2;/q2*-1;;;+2.
What are the key properties of propane;titanium(2+);dihydrate?
propane;titanium(2+);dihydrate has a molecular weight of 170.07 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;titanium(2+);dihydrate is sourced from PubChem (CID 164789327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).