2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride

C16H15Cl2OTi — CID 87492688

IUPAC2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride
SMILESCO.[Cl-].[Cl-].[Ti+3].[c-]1c(C2=CC=CC2)ccc2ccccc12
InChIInChI=1S/C15H11.CH4O.2ClH.Ti/c1-2-6-12(5-1)15-10-9-13-7-3-4-8-14(13)11-15;1-2;;;/h1-5,7-10H,6H2;2H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeyRQBCOAOLEJBWOT-UHFFFAOYSA-L
MW342.07 g/mol
LogP-2.40
Rot. Bonds1

About 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride

2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride (PubChem CID 87492688) has the molecular formula C16H15Cl2OTi and a molecular weight of 342.07 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride
PubChem CID87492688
Molecular FormulaC16H15Cl2OTi
Molecular Weight342.07 g/mol
Exact Mass341.00
IUPAC Name2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride
SMILESCO.[Cl-].[Cl-].[Ti+3].[c-]1c(C2=CC=CC2)ccc2ccccc12
InChIInChI=1S/C15H11.CH4O.2ClH.Ti/c1-2-6-12(5-1)15-10-9-13-7-3-4-8-14(13)11-15;1-2;;;/h1-5,7-10H,6H2;2H,1H3;2*1H;/q-1;;;;+3/p-2
InChIKeyRQBCOAOLEJBWOT-UHFFFAOYSA-L
XLogP-2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.07
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride (CID 87492688) is 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride is CO.[Cl-].[Cl-].[Ti+3].[c-]1c(C2=CC=CC2)ccc2ccccc12.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride?
The InChIKey is RQBCOAOLEJBWOT-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11.CH4O.2ClH.Ti/c1-2-6-12(5-1)15-10-9-13-7-3-4-8-14(13)11-15;1-2;;;/h1-5,7-10H,6H2;2H,1H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride?
2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride has a molecular weight of 342.07 g/mol, XLogP of -2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-1H-naphthalen-1-ide;methanol;titanium(3+);dichloride is sourced from PubChem (CID 87492688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).