hypochlorous acid;bis(propan-2-ol);titanium

C6H18Cl2O4Ti — CID 88685410

IUPAChypochlorous acid;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.OCl.OCl.[Ti]
InChIInChI=1S/2C3H8O.2ClHO.Ti/c2*1-3(2)4;2*1-2;/h2*3-4H,1-2H3;2*2H;
InChIKeyNPAVECKMVQBGTM-UHFFFAOYSA-N
MW272.98 g/mol
LogP1.04
Rot. Bonds

About hypochlorous acid;bis(propan-2-ol);titanium

hypochlorous acid;bis(propan-2-ol);titanium (PubChem CID 88685410) has the molecular formula C6H18Cl2O4Ti and a molecular weight of 272.98 g/mol. Its IUPAC name is hypochlorous acid;bis(propan-2-ol);titanium.

Molecular Properties

Compound Namehypochlorous acid;bis(propan-2-ol);titanium
PubChem CID88685410
Molecular FormulaC6H18Cl2O4Ti
Molecular Weight272.98 g/mol
Exact Mass272.01
IUPAC Namehypochlorous acid;bis(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.OCl.OCl.[Ti]
InChIInChI=1S/2C3H8O.2ClHO.Ti/c2*1-3(2)4;2*1-2;/h2*3-4H,1-2H3;2*2H;
InChIKeyNPAVECKMVQBGTM-UHFFFAOYSA-N
XLogP1.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.98
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze hypochlorous acid;bis(propan-2-ol);titanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;bis(propan-2-ol);titanium?
The IUPAC name of hypochlorous acid;bis(propan-2-ol);titanium (CID 88685410) is hypochlorous acid;bis(propan-2-ol);titanium.
What is the SMILES notation for hypochlorous acid;bis(propan-2-ol);titanium?
The canonical SMILES for hypochlorous acid;bis(propan-2-ol);titanium is CC(C)O.CC(C)O.OCl.OCl.[Ti].
What is the InChIKey of hypochlorous acid;bis(propan-2-ol);titanium?
The InChIKey is NPAVECKMVQBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O.2ClHO.Ti/c2*1-3(2)4;2*1-2;/h2*3-4H,1-2H3;2*2H;.
What are the key properties of hypochlorous acid;bis(propan-2-ol);titanium?
hypochlorous acid;bis(propan-2-ol);titanium has a molecular weight of 272.98 g/mol, XLogP of 1.04, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;bis(propan-2-ol);titanium is sourced from PubChem (CID 88685410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).