hydroperoxymethane;hypochlorous acid;methanol;oxotitanium

C3H13ClO6Ti — CID 87803745

IUPAChydroperoxymethane;hypochlorous acid;methanol;oxotitanium
SMILESCO.CO.COO.O=[Ti].OCl
InChIInChI=1S/CH4O2.2CH4O.ClHO.O.Ti/c1-3-2;3*1-2;;/h2H,1H3;2*2H,1H3;2H;;
InChIKeyNCYQQRBWWVAMSS-UHFFFAOYSA-N
MW228.45 g/mol
LogP-0.67
Rot. Bonds

About hydroperoxymethane;hypochlorous acid;methanol;oxotitanium

hydroperoxymethane;hypochlorous acid;methanol;oxotitanium (PubChem CID 87803745) has the molecular formula C3H13ClO6Ti and a molecular weight of 228.45 g/mol. Its IUPAC name is hydroperoxymethane;hypochlorous acid;methanol;oxotitanium.

Molecular Properties

Compound Namehydroperoxymethane;hypochlorous acid;methanol;oxotitanium
PubChem CID87803745
Molecular FormulaC3H13ClO6Ti
Molecular Weight228.45 g/mol
Exact Mass227.99
IUPAC Namehydroperoxymethane;hypochlorous acid;methanol;oxotitanium
SMILESCO.CO.COO.O=[Ti].OCl
InChIInChI=1S/CH4O2.2CH4O.ClHO.O.Ti/c1-3-2;3*1-2;;/h2H,1H3;2*2H,1H3;2H;;
InChIKeyNCYQQRBWWVAMSS-UHFFFAOYSA-N
XLogP-0.67
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.45
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxymethane;hypochlorous acid;methanol;oxotitanium?
The IUPAC name of hydroperoxymethane;hypochlorous acid;methanol;oxotitanium (CID 87803745) is hydroperoxymethane;hypochlorous acid;methanol;oxotitanium.
What is the SMILES notation for hydroperoxymethane;hypochlorous acid;methanol;oxotitanium?
The canonical SMILES for hydroperoxymethane;hypochlorous acid;methanol;oxotitanium is CO.CO.COO.O=[Ti].OCl.
What is the InChIKey of hydroperoxymethane;hypochlorous acid;methanol;oxotitanium?
The InChIKey is NCYQQRBWWVAMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2.2CH4O.ClHO.O.Ti/c1-3-2;3*1-2;;/h2H,1H3;2*2H,1H3;2H;;.
What are the key properties of hydroperoxymethane;hypochlorous acid;methanol;oxotitanium?
hydroperoxymethane;hypochlorous acid;methanol;oxotitanium has a molecular weight of 228.45 g/mol, XLogP of -0.67, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxymethane;hypochlorous acid;methanol;oxotitanium is sourced from PubChem (CID 87803745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).