carbanide;methanol;titanium;dihydrochloride

C2H9Cl2OTi- — CID 87148713

IUPACcarbanide;methanol;titanium;dihydrochloride
SMILESCO.Cl.Cl.[CH3-].[Ti]
InChIInChI=1S/CH4O.CH3.2ClH.Ti/c1-2;;;;/h2H,1H3;1H3;2*1H;/q;-1;;;
InChIKeyWUHDDYOJVWLCCG-UHFFFAOYSA-N
MW167.87 g/mol
LogP0.90
Rot. Bonds

About carbanide;methanol;titanium;dihydrochloride

carbanide;methanol;titanium;dihydrochloride (PubChem CID 87148713) has the molecular formula C2H9Cl2OTi- and a molecular weight of 167.87 g/mol. Its IUPAC name is carbanide;methanol;titanium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;methanol;titanium;dihydrochloride
PubChem CID87148713
Molecular FormulaC2H9Cl2OTi-
Molecular Weight167.87 g/mol
Exact Mass166.95
IUPAC Namecarbanide;methanol;titanium;dihydrochloride
SMILESCO.Cl.Cl.[CH3-].[Ti]
InChIInChI=1S/CH4O.CH3.2ClH.Ti/c1-2;;;;/h2H,1H3;1H3;2*1H;/q;-1;;;
InChIKeyWUHDDYOJVWLCCG-UHFFFAOYSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.87
LogP ≤ 50.90
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 carbanide;methanol;titanium;dihydrochloride?
The IUPAC name of carbanide;methanol;titanium;dihydrochloride (CID 87148713) is carbanide;methanol;titanium;dihydrochloride.
What is the SMILES notation for carbanide;methanol;titanium;dihydrochloride?
The canonical SMILES for carbanide;methanol;titanium;dihydrochloride is CO.Cl.Cl.[CH3-].[Ti].
What is the InChIKey of carbanide;methanol;titanium;dihydrochloride?
The InChIKey is WUHDDYOJVWLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O.CH3.2ClH.Ti/c1-2;;;;/h2H,1H3;1H3;2*1H;/q;-1;;;.
What are the key properties of carbanide;methanol;titanium;dihydrochloride?
carbanide;methanol;titanium;dihydrochloride has a molecular weight of 167.87 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanol;titanium;dihydrochloride is sourced from PubChem (CID 87148713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).