carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C20H35ClRu-7 — CID 156694793

IUPACcarbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Ru].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].c1cc[cH-]c1
InChIInChI=1S/C10H15.C5H5.5CH3.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;;;;;/h1-5H3;1-5H;5*1H3;1H;/q7*-1;;+1/p-1
InChIKeyNESUQSBAWGJDKE-UHFFFAOYSA-M
MW412.02 g/mol
LogP7.29
Rot. Bonds

About carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 156694793) has the molecular formula C20H35ClRu-7 and a molecular weight of 412.02 g/mol. Its IUPAC name is carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID156694793
Molecular FormulaC20H35ClRu-7
Molecular Weight412.02 g/mol
Exact Mass412.15
IUPAC Namecarbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.Cl[Ru].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].c1cc[cH-]c1
InChIInChI=1S/C10H15.C5H5.5CH3.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;;;;;/h1-5H3;1-5H;5*1H3;1H;/q7*-1;;+1/p-1
InChIKeyNESUQSBAWGJDKE-UHFFFAOYSA-M
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.02
LogP ≤ 57.29
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 carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 156694793) is carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.Cl[Ru].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].c1cc[cH-]c1.
What is the InChIKey of carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is NESUQSBAWGJDKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15.C5H5.5CH3.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-5-3-1;;;;;;;/h1-5H3;1-5H;5*1H3;1H;/q7*-1;;+1/p-1.
What are the key properties of carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 412.02 g/mol, XLogP of 7.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororuthenium;cyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 156694793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).