cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride

C16H15Cl2PTi — CID 21094875

IUPACcyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride
SMILESCCP(C1=[C-]CC=C1)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C16H15P.2ClH.Ti/c1-2-17(14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-4,6-8,10-12H,2,5H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyLUZYKJASUJDGJY-UHFFFAOYSA-L
MW357.04 g/mol
LogP-1.66
Rot. Bonds3

About cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride

cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride (PubChem CID 21094875) has the molecular formula C16H15Cl2PTi and a molecular weight of 357.04 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride
PubChem CID21094875
Molecular FormulaC16H15Cl2PTi
Molecular Weight357.04 g/mol
Exact Mass355.98
IUPAC Namecyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride
SMILESCCP(C1=[C-]CC=C1)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C16H15P.2ClH.Ti/c1-2-17(14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-4,6-8,10-12H,2,5H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyLUZYKJASUJDGJY-UHFFFAOYSA-L
XLogP-1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 5-1.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride (CID 21094875) is cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride is CCP(C1=[C-]CC=C1)[c-]1ccc2ccccc21.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride?
The InChIKey is LUZYKJASUJDGJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H15P.2ClH.Ti/c1-2-17(14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;;/h3-4,6-8,10-12H,2,5H2,1H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride?
cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride has a molecular weight of 357.04 g/mol, XLogP of -1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-ethyl-inden-1-id-1-ylphosphane;titanium(4+);dichloride is sourced from PubChem (CID 21094875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).