cyclopenta-1,3-diene;ethanol;titanium

C11H23O3Ti- — CID 23263646

IUPACcyclopenta-1,3-diene;ethanol;titanium
SMILESCCO.CCO.CCO.[Ti].c1cc[cH-]c1
InChIInChI=1S/C5H5.3C2H6O.Ti/c1-2-4-5-3-1;3*1-2-3;/h1-5H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyMLWPIDAZNKJJAB-UHFFFAOYSA-N
MW251.17 g/mol
LogP1.40
Rot. Bonds

About cyclopenta-1,3-diene;ethanol;titanium

cyclopenta-1,3-diene;ethanol;titanium (PubChem CID 23263646) has the molecular formula C11H23O3Ti- and a molecular weight of 251.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethanol;titanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethanol;titanium
PubChem CID23263646
Molecular FormulaC11H23O3Ti-
Molecular Weight251.17 g/mol
Exact Mass251.11
IUPAC Namecyclopenta-1,3-diene;ethanol;titanium
SMILESCCO.CCO.CCO.[Ti].c1cc[cH-]c1
InChIInChI=1S/C5H5.3C2H6O.Ti/c1-2-4-5-3-1;3*1-2-3;/h1-5H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyMLWPIDAZNKJJAB-UHFFFAOYSA-N
XLogP1.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 51.40
H-Bond Donors ≤ 53
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;ethanol;titanium?
The IUPAC name of cyclopenta-1,3-diene;ethanol;titanium (CID 23263646) is cyclopenta-1,3-diene;ethanol;titanium.
What is the SMILES notation for cyclopenta-1,3-diene;ethanol;titanium?
The canonical SMILES for cyclopenta-1,3-diene;ethanol;titanium is CCO.CCO.CCO.[Ti].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;ethanol;titanium?
The InChIKey is MLWPIDAZNKJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C2H6O.Ti/c1-2-4-5-3-1;3*1-2-3;/h1-5H;3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of cyclopenta-1,3-diene;ethanol;titanium?
cyclopenta-1,3-diene;ethanol;titanium has a molecular weight of 251.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethanol;titanium is sourced from PubChem (CID 23263646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).