carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)

C20H35Cl2O2RuTi+ — CID 23601188

IUPACcarbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
SMILESC1CCCC1.CC1CCCC1.C[CH-]C1CCCC1.Cl[Ti]Cl.[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/C7H13.C6H12.C5H10.2CO.2ClH.Ru.Ti/c1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,7H,3-6H2,1H3;6H,2-5H2,1H3;1-5H2;;;2*1H;;/q-1;;;;;;;2*+2/p-2
InChIKeyINIVVFKGRWAXTL-UHFFFAOYSA-L
MW527.34 g/mol
LogP7.85
Rot. Bonds1

About carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)

carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+) (PubChem CID 23601188) has the molecular formula C20H35Cl2O2RuTi+ and a molecular weight of 527.34 g/mol. Its IUPAC name is carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+).

Molecular Properties

Compound Namecarbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
PubChem CID23601188
Molecular FormulaC20H35Cl2O2RuTi+
Molecular Weight527.34 g/mol
Exact Mass527.05
IUPAC Namecarbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
SMILESC1CCCC1.CC1CCCC1.C[CH-]C1CCCC1.Cl[Ti]Cl.[C-]#[O+].[C-]#[O+].[Ru+2]
InChIInChI=1S/C7H13.C6H12.C5H10.2CO.2ClH.Ru.Ti/c1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,7H,3-6H2,1H3;6H,2-5H2,1H3;1-5H2;;;2*1H;;/q-1;;;;;;;2*+2/p-2
InChIKeyINIVVFKGRWAXTL-UHFFFAOYSA-L
XLogP7.85
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.34
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichlorotitanium;bis(methylcyclopentane)
CID 133112774
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507
methylcyclopentane
CID 7296
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
ethane;methylcyclohexane;dihydrate
CID 144526565
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)?
The IUPAC name of carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+) (CID 23601188) is carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+).
What is the SMILES notation for carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)?
The canonical SMILES for carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+) is C1CCCC1.CC1CCCC1.C[CH-]C1CCCC1.Cl[Ti]Cl.[C-]#[O+].[C-]#[O+].[Ru+2].
What is the InChIKey of carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)?
The InChIKey is INIVVFKGRWAXTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H13.C6H12.C5H10.2CO.2ClH.Ru.Ti/c1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;1-2-4-5-3-1;2*1-2;;;;/h2,7H,3-6H2,1H3;6H,2-5H2,1H3;1-5H2;;;2*1H;;/q-1;;;;;;;2*+2/p-2.
What are the key properties of carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+)?
carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+) has a molecular weight of 527.34 g/mol, XLogP of 7.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopentane;dichlorotitanium;ethylcyclopentane;methylcyclopentane;ruthenium(2+) is sourced from PubChem (CID 23601188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).