tris(prop-2-en-1-ol);titanium

C9H18O3Ti — CID 177430302

IUPACtris(prop-2-en-1-ol);titanium
SMILESC=CCO.C=CCO.C=CCO.[Ti]
InChIInChI=1S/3C3H6O.Ti/c3*1-2-3-4;/h3*2,4H,1,3H2;
InChIKeyOGZMGSIDCQRGED-UHFFFAOYSA-N
MW222.11 g/mol
LogP0.49
Rot. Bonds3

About tris(prop-2-en-1-ol);titanium

tris(prop-2-en-1-ol);titanium (PubChem CID 177430302) has the molecular formula C9H18O3Ti and a molecular weight of 222.11 g/mol. Its IUPAC name is tris(prop-2-en-1-ol);titanium.

Molecular Properties

Compound Nametris(prop-2-en-1-ol);titanium
PubChem CID177430302
Molecular FormulaC9H18O3Ti
Molecular Weight222.11 g/mol
Exact Mass222.07
IUPAC Nametris(prop-2-en-1-ol);titanium
SMILESC=CCO.C=CCO.C=CCO.[Ti]
InChIInChI=1S/3C3H6O.Ti/c3*1-2-3-4;/h3*2,4H,1,3H2;
InChIKeyOGZMGSIDCQRGED-UHFFFAOYSA-N
XLogP0.49
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetrakis(prop-2-en-1-ol);titanium
CID 87784373
palladium;prop-2-en-1-ol
CID 174738177
alumane;prop-2-en-1-ol
CID 173215342
prop-2-en-1-ol;stannane
CID 173011847
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
prop-2-en-1-ol;1,3,5-triazine
CID 174415460
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
oxolane;prop-2-en-1-ol
CID 67851867
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277

Frequently Asked Questions

What is the IUPAC name of tris(prop-2-en-1-ol);titanium?
The IUPAC name of tris(prop-2-en-1-ol);titanium (CID 177430302) is tris(prop-2-en-1-ol);titanium.
What is the SMILES notation for tris(prop-2-en-1-ol);titanium?
The canonical SMILES for tris(prop-2-en-1-ol);titanium is C=CCO.C=CCO.C=CCO.[Ti].
What is the InChIKey of tris(prop-2-en-1-ol);titanium?
The InChIKey is OGZMGSIDCQRGED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6O.Ti/c3*1-2-3-4;/h3*2,4H,1,3H2;.
What are the key properties of tris(prop-2-en-1-ol);titanium?
tris(prop-2-en-1-ol);titanium has a molecular weight of 222.11 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-en-1-ol);titanium is sourced from PubChem (CID 177430302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).