ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)

C24H40O2Ti — CID 158018083

IUPACethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)
SMILESCC[O-].CC[O-].Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ti+4]
InChIInChI=1S/2C10H15.2C2H5O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-3;/h2*1-5H3;2*2H2,1H3;/q4*-1;+4
InChIKeyFFSKRFZTXYYYLA-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.63
Rot. Bonds

About ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)

ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+) (PubChem CID 158018083) has the molecular formula C24H40O2Ti and a molecular weight of 408.45 g/mol. Its IUPAC name is ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+).

Molecular Properties

Compound Nameethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)
PubChem CID158018083
Molecular FormulaC24H40O2Ti
Molecular Weight408.45 g/mol
Exact Mass408.25
IUPAC Nameethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)
SMILESCC[O-].CC[O-].Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ti+4]
InChIInChI=1S/2C10H15.2C2H5O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-3;/h2*1-5H3;2*2H2,1H3;/q4*-1;+4
InChIKeyFFSKRFZTXYYYLA-UHFFFAOYSA-N
XLogP4.63
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141169485
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 139722502
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 5148204
CID 11325153
CID 11325153
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772

Frequently Asked Questions

What is the IUPAC name of ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)?
The IUPAC name of ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+) (CID 158018083) is ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+).
What is the SMILES notation for ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)?
The canonical SMILES for ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+) is CC[O-].CC[O-].Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.[Ti+4].
What is the InChIKey of ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)?
The InChIKey is FFSKRFZTXYYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2C2H5O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-3;/h2*1-5H3;2*2H2,1H3;/q4*-1;+4.
What are the key properties of ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+)?
ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+) has a molecular weight of 408.45 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);titanium(4+) is sourced from PubChem (CID 158018083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).