cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)

C14H22O3Ti-4 — CID 131697939

IUPACcyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)
SMILESCCC[O-].CCC[O-].CCC[O-].[Ti+4].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.3C3H7O.Ti/c1-2-4-5-3-1;3*1-2-3-4;/h1H;3*2-3H2,1H3;/q-5;3*-1;+4
InChIKeyQWAGTMVFLMZDQY-UHFFFAOYSA-N
MW286.19 g/mol
LogP-0.13
Rot. Bonds3

About cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)

cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+) (PubChem CID 131697939) has the molecular formula C14H22O3Ti-4 and a molecular weight of 286.19 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)
PubChem CID131697939
Molecular FormulaC14H22O3Ti-4
Molecular Weight286.19 g/mol
Exact Mass286.11
IUPAC Namecyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)
SMILESCCC[O-].CCC[O-].CCC[O-].[Ti+4].[c-]1[c-][c-][cH-][c-]1
InChIInChI=1S/C5H.3C3H7O.Ti/c1-2-4-5-3-1;3*1-2-3-4;/h1H;3*2-3H2,1H3;/q-5;3*-1;+4
InChIKeyQWAGTMVFLMZDQY-UHFFFAOYSA-N
XLogP-0.13
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+) (CID 131697939) is cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+) is CCC[O-].CCC[O-].CCC[O-].[Ti+4].[c-]1[c-][c-][cH-][c-]1.
What is the InChIKey of cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)?
The InChIKey is QWAGTMVFLMZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H.3C3H7O.Ti/c1-2-4-5-3-1;3*1-2-3-4;/h1H;3*2-3H2,1H3;/q-5;3*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+)?
cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+) has a molecular weight of 286.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(propan-1-olate);titanium(4+) is sourced from PubChem (CID 131697939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).