chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide

C11H17ClOTi — CID 88524324

IUPACchlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide
SMILESCCO.Cl[Ti+].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.C2H6O.ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-3;;/h3,6-7H,1-2,4-5H2;3H,2H2,1H3;1H;/q-1;;;+2/p-1
InChIKeyLUCCHMWPZYHDKS-UHFFFAOYSA-M
MW248.58 g/mol
LogP2.97
Rot. Bonds

About chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide

chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide (PubChem CID 88524324) has the molecular formula C11H17ClOTi and a molecular weight of 248.58 g/mol. Its IUPAC name is chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide.

Molecular Properties

Compound Namechlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide
PubChem CID88524324
Molecular FormulaC11H17ClOTi
Molecular Weight248.58 g/mol
Exact Mass248.04
IUPAC Namechlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide
SMILESCCO.Cl[Ti+].c1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11.C2H6O.ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-3;;/h3,6-7H,1-2,4-5H2;3H,2H2,1H3;1H;/q-1;;;+2/p-1
InChIKeyLUCCHMWPZYHDKS-UHFFFAOYSA-M
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.58
LogP ≤ 52.97
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 chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide?
The IUPAC name of chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide (CID 88524324) is chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide.
What is the SMILES notation for chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide?
The canonical SMILES for chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide is CCO.Cl[Ti+].c1cc2c([cH-]1)CCCC2.
What is the InChIKey of chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide?
The InChIKey is LUCCHMWPZYHDKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.C2H6O.ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-2-3;;/h3,6-7H,1-2,4-5H2;3H,2H2,1H3;1H;/q-1;;;+2/p-1.
What are the key properties of chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide?
chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide has a molecular weight of 248.58 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorotitanium(1+);ethanol;4,5,6,7-tetrahydro-1H-inden-1-ide is sourced from PubChem (CID 88524324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).