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

C10H15ClRu — CID 87560864

IUPACchlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.Cl[Ru+]
InChIInChI=1S/C10H15.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyXMVYZLDYUDRVSR-UHFFFAOYSA-M
MW271.75 g/mol
LogP3.80
Rot. Bonds

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

chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87560864) has the molecular formula C10H15ClRu and a molecular weight of 271.75 g/mol. Its IUPAC name is chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namechlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87560864
Molecular FormulaC10H15ClRu
Molecular Weight271.75 g/mol
Exact Mass271.99
IUPAC Namechlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESCC1=[C-]C(C)(C)C(C)=C1C.Cl[Ru+]
InChIInChI=1S/C10H15.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1
InChIKeyXMVYZLDYUDRVSR-UHFFFAOYSA-M
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87560864) is chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is CC1=[C-]C(C)(C)C(C)=C1C.Cl[Ru+].
What is the InChIKey of chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is XMVYZLDYUDRVSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.ClH.Ru/c1-7-6-10(4,5)9(3)8(7)2;;/h1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 271.75 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87560864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).