1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride

C17H18Cl2P2Ti — CID 21094859

IUPAC1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride
SMILESCP1CC2=CC[C-]=C2P1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11P2.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-9-6-7-4-3-5-8(7)10(9)2;;;/h1-7H;4H,3,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWNFHKDIAGQSSIS-UHFFFAOYSA-L
MW403.05 g/mol
LogP-0.28
Rot. Bonds

About 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride

1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride (PubChem CID 21094859) has the molecular formula C17H18Cl2P2Ti and a molecular weight of 403.05 g/mol. Its IUPAC name is 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride.

Molecular Properties

Compound Name1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride
PubChem CID21094859
Molecular FormulaC17H18Cl2P2Ti
Molecular Weight403.05 g/mol
Exact Mass401.97
IUPAC Name1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride
SMILESCP1CC2=CC[C-]=C2P1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C8H11P2.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-9-6-7-4-3-5-8(7)10(9)2;;;/h1-7H;4H,3,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWNFHKDIAGQSSIS-UHFFFAOYSA-L
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 5-0.28
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 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride?
The IUPAC name of 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride (CID 21094859) is 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride.
What is the SMILES notation for 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride?
The canonical SMILES for 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride is CP1CC2=CC[C-]=C2P1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride?
The InChIKey is WNFHKDIAGQSSIS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C8H11P2.2ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-9-6-7-4-3-5-8(7)10(9)2;;;/h1-7H;4H,3,6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride?
1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride has a molecular weight of 403.05 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,6-dihydro-3H-cyclopenta[c]diphosphol-6-ide;1H-inden-1-ide;titanium(4+);dichloride is sourced from PubChem (CID 21094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).