chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C18H28ClRu — CID 84820140

IUPACchlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC1=C\CC/C=C\CC/1.CC1=CC(C)(C)C(C)=C1C.Cl[Ru]
InChIInChI=1S/C10H16.C8H12.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;1-2-4-6-8-7-5-3-1;;/h6H,1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;
InChIKeyJBVMVFXUVNUNNG-ONEVTFJLSA-M
MW380.95 g/mol
LogP6.67
Rot. Bonds

About chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 84820140) has the molecular formula C18H28ClRu and a molecular weight of 380.95 g/mol. Its IUPAC name is chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namechlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID84820140
Molecular FormulaC18H28ClRu
Molecular Weight380.95 g/mol
Exact Mass381.09
IUPAC Namechlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC1=C\CC/C=C\CC/1.CC1=CC(C)(C)C(C)=C1C.Cl[Ru]
InChIInChI=1S/C10H16.C8H12.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;1-2-4-6-8-7-5-3-1;;/h6H,1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;
InChIKeyJBVMVFXUVNUNNG-ONEVTFJLSA-M
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.95
LogP ≤ 56.67
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 chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 84820140) is chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is C1=C\CC/C=C\CC/1.CC1=CC(C)(C)C(C)=C1C.Cl[Ru].
What is the InChIKey of chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is JBVMVFXUVNUNNG-ONEVTFJLSA-M. The full InChI is InChI=1S/C10H16.C8H12.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;1-2-4-6-8-7-5-3-1;;/h6H,1-5H3;1-2,7-8H,3-6H2;1H;/q;;;+1/p-1/b;2-1-,8-7-;;.
What are the key properties of chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 380.95 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;(1Z,5Z)-cycloocta-1,5-diene;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 84820140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).