carbanide;chlorotitanium(1+);methanol

C3H11ClO2Ti — CID 20695642

IUPACcarbanide;chlorotitanium(1+);methanol
SMILESCO.CO.Cl[Ti+].[CH3-]
InChIInChI=1S/2CH4O.CH3.ClH.Ti/c2*1-2;;;/h2*2H,1H3;1H3;1H;/q;;-1;;+2/p-1
InChIKeyHHEHAGWECRPEST-UHFFFAOYSA-M
MW162.44 g/mol
LogP0.35
Rot. Bonds

About carbanide;chlorotitanium(1+);methanol

carbanide;chlorotitanium(1+);methanol (PubChem CID 20695642) has the molecular formula C3H11ClO2Ti and a molecular weight of 162.44 g/mol. Its IUPAC name is carbanide;chlorotitanium(1+);methanol.

Molecular Properties

Compound Namecarbanide;chlorotitanium(1+);methanol
PubChem CID20695642
Molecular FormulaC3H11ClO2Ti
Molecular Weight162.44 g/mol
Exact Mass161.99
IUPAC Namecarbanide;chlorotitanium(1+);methanol
SMILESCO.CO.Cl[Ti+].[CH3-]
InChIInChI=1S/2CH4O.CH3.ClH.Ti/c2*1-2;;;/h2*2H,1H3;1H3;1H;/q;;-1;;+2/p-1
InChIKeyHHEHAGWECRPEST-UHFFFAOYSA-M
XLogP0.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.44
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;chlorotitanium(1+);methanol?
The IUPAC name of carbanide;chlorotitanium(1+);methanol (CID 20695642) is carbanide;chlorotitanium(1+);methanol.
What is the SMILES notation for carbanide;chlorotitanium(1+);methanol?
The canonical SMILES for carbanide;chlorotitanium(1+);methanol is CO.CO.Cl[Ti+].[CH3-].
What is the InChIKey of carbanide;chlorotitanium(1+);methanol?
The InChIKey is HHEHAGWECRPEST-UHFFFAOYSA-M. The full InChI is InChI=1S/2CH4O.CH3.ClH.Ti/c2*1-2;;;/h2*2H,1H3;1H3;1H;/q;;-1;;+2/p-1.
What are the key properties of carbanide;chlorotitanium(1+);methanol?
carbanide;chlorotitanium(1+);methanol has a molecular weight of 162.44 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlorotitanium(1+);methanol is sourced from PubChem (CID 20695642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).