ethenol;prop-2-en-1-ol;titanium;dihydrate

C5H14O4Ti — CID 88804274

IUPACethenol;prop-2-en-1-ol;titanium;dihydrate
SMILESC=CCO.C=CO.O.O.[Ti]
InChIInChI=1S/C3H6O.C2H4O.2H2O.Ti/c1-2-3-4;1-2-3;;;/h2,4H,1,3H2;2-3H,1H2;2*1H2;
InChIKeyAKGQVVJFHWZJCB-UHFFFAOYSA-N
MW186.03 g/mol
LogP-0.80
Rot. Bonds1

About ethenol;prop-2-en-1-ol;titanium;dihydrate

ethenol;prop-2-en-1-ol;titanium;dihydrate (PubChem CID 88804274) has the molecular formula C5H14O4Ti and a molecular weight of 186.03 g/mol. Its IUPAC name is ethenol;prop-2-en-1-ol;titanium;dihydrate.

Molecular Properties

Compound Nameethenol;prop-2-en-1-ol;titanium;dihydrate
PubChem CID88804274
Molecular FormulaC5H14O4Ti
Molecular Weight186.03 g/mol
Exact Mass186.04
IUPAC Nameethenol;prop-2-en-1-ol;titanium;dihydrate
SMILESC=CCO.C=CO.O.O.[Ti]
InChIInChI=1S/C3H6O.C2H4O.2H2O.Ti/c1-2-3-4;1-2-3;;;/h2,4H,1,3H2;2-3H,1H2;2*1H2;
InChIKeyAKGQVVJFHWZJCB-UHFFFAOYSA-N
XLogP-0.80
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.03
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of ethenol;prop-2-en-1-ol;titanium;dihydrate?
The IUPAC name of ethenol;prop-2-en-1-ol;titanium;dihydrate (CID 88804274) is ethenol;prop-2-en-1-ol;titanium;dihydrate.
What is the SMILES notation for ethenol;prop-2-en-1-ol;titanium;dihydrate?
The canonical SMILES for ethenol;prop-2-en-1-ol;titanium;dihydrate is C=CCO.C=CO.O.O.[Ti].
What is the InChIKey of ethenol;prop-2-en-1-ol;titanium;dihydrate?
The InChIKey is AKGQVVJFHWZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4O.2H2O.Ti/c1-2-3-4;1-2-3;;;/h2,4H,1,3H2;2-3H,1H2;2*1H2;.
What are the key properties of ethenol;prop-2-en-1-ol;titanium;dihydrate?
ethenol;prop-2-en-1-ol;titanium;dihydrate has a molecular weight of 186.03 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;prop-2-en-1-ol;titanium;dihydrate is sourced from PubChem (CID 88804274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).