Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)

C18H27ClRu — CID 11025302

IUPAC—
SMILESC1=C\CC/C=C\CC/1.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ru]
InChIInChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;
InChIKeyMQMQNIQJGNBEMG-ONEVTFJLSA-M
MW379.94 g/mol
LogP6.63
Rot. Bonds

About Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)

Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II) (PubChem CID 11025302) has the molecular formula C18H27ClRu and a molecular weight of 379.94 g/mol.

Molecular Properties

Compound NameChloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)
PubChem CID11025302
Molecular FormulaC18H27ClRu
Molecular Weight379.94 g/mol
Exact Mass380.08
IUPAC Name—
SMILESC1=C\CC/C=C\CC/1.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ru]
InChIInChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;
InChIKeyMQMQNIQJGNBEMG-ONEVTFJLSA-M
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)?
The IUPAC name of Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II) (CID 11025302) is not available.
What is the SMILES notation for Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)?
The canonical SMILES for Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II) is C1=C\CC/C=C\CC/1.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ru].
What is the InChIKey of Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)?
The InChIKey is MQMQNIQJGNBEMG-ONEVTFJLSA-M. The full InChI is InChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;.
What are the key properties of Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)?
Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II) has a molecular weight of 379.94 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II) is sourced from PubChem (CID 11025302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).