ethenol;oxotitanium;prop-2-en-1-ol

C5H10O3Ti — CID 88804275

IUPACethenol;oxotitanium;prop-2-en-1-ol
SMILESC=CCO.C=CO.O=[Ti]
InChIInChI=1S/C3H6O.C2H4O.O.Ti/c1-2-3-4;1-2-3;;/h2,4H,1,3H2;2-3H,1H2;;
InChIKeyNXZVRSMYFXWEPU-UHFFFAOYSA-N
MW166.00 g/mol
LogP0.73
Rot. Bonds1

About ethenol;oxotitanium;prop-2-en-1-ol

ethenol;oxotitanium;prop-2-en-1-ol (PubChem CID 88804275) has the molecular formula C5H10O3Ti and a molecular weight of 166.00 g/mol. Its IUPAC name is ethenol;oxotitanium;prop-2-en-1-ol.

Molecular Properties

Compound Nameethenol;oxotitanium;prop-2-en-1-ol
PubChem CID88804275
Molecular FormulaC5H10O3Ti
Molecular Weight166.00 g/mol
Exact Mass166.01
IUPAC Nameethenol;oxotitanium;prop-2-en-1-ol
SMILESC=CCO.C=CO.O=[Ti]
InChIInChI=1S/C3H6O.C2H4O.O.Ti/c1-2-3-4;1-2-3;;/h2,4H,1,3H2;2-3H,1H2;;
InChIKeyNXZVRSMYFXWEPU-UHFFFAOYSA-N
XLogP0.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.00
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
tris(prop-2-en-1-ol);titanium
CID 177430302
prop-2-en-1-ol;stannane
CID 173011847
palladium;prop-2-en-1-ol
CID 174738177
alumane;prop-2-en-1-ol
CID 173215342
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
methyl nitrite;prop-2-en-1-ol
CID 174754081
prop-2-en-1-ol;1,3,5-triazine
CID 174415460
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
ethane-1,2-diol;ethenol;sulfuric acid
CID 87139744

Frequently Asked Questions

What is the IUPAC name of ethenol;oxotitanium;prop-2-en-1-ol?
The IUPAC name of ethenol;oxotitanium;prop-2-en-1-ol (CID 88804275) is ethenol;oxotitanium;prop-2-en-1-ol.
What is the SMILES notation for ethenol;oxotitanium;prop-2-en-1-ol?
The canonical SMILES for ethenol;oxotitanium;prop-2-en-1-ol is C=CCO.C=CO.O=[Ti].
What is the InChIKey of ethenol;oxotitanium;prop-2-en-1-ol?
The InChIKey is NXZVRSMYFXWEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O.O.Ti/c1-2-3-4;1-2-3;;/h2,4H,1,3H2;2-3H,1H2;;.
What are the key properties of ethenol;oxotitanium;prop-2-en-1-ol?
ethenol;oxotitanium;prop-2-en-1-ol has a molecular weight of 166.00 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;oxotitanium;prop-2-en-1-ol is sourced from PubChem (CID 88804275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).