CID 59921369

C8H17PRu — CID 59921369

IUPAC—
SMILESPC1CCCCC1.[CH3-].[CH]=[Ru+]
InChIInChI=1S/C6H13P.CH3.CH.Ru/c7-6-4-2-1-3-5-6;;;/h6H,1-5,7H2;1H3;1H;/q;-1;;+1
InChIKeyFJZILTLKDGWXDC-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.49
Rot. Bonds

About CID 59921369

CID 59921369 (PubChem CID 59921369) has the molecular formula C8H17PRu and a molecular weight of 245.27 g/mol.

Molecular Properties

Compound NameCID 59921369
PubChem CID59921369
Molecular FormulaC8H17PRu
Molecular Weight245.27 g/mol
Exact Mass246.01
IUPAC Name—
SMILESPC1CCCCC1.[CH3-].[CH]=[Ru+]
InChIInChI=1S/C6H13P.CH3.CH.Ru/c7-6-4-2-1-3-5-6;;;/h6H,1-5,7H2;1H3;1H;/q;-1;;+1
InChIKeyFJZILTLKDGWXDC-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 59921369 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59921369?
The IUPAC name of CID 59921369 (CID 59921369) is not available.
What is the SMILES notation for CID 59921369?
The canonical SMILES for CID 59921369 is PC1CCCCC1.[CH3-].[CH]=[Ru+].
What is the InChIKey of CID 59921369?
The InChIKey is FJZILTLKDGWXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13P.CH3.CH.Ru/c7-6-4-2-1-3-5-6;;;/h6H,1-5,7H2;1H3;1H;/q;-1;;+1.
What are the key properties of CID 59921369?
CID 59921369 has a molecular weight of 245.27 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59921369 is sourced from PubChem (CID 59921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).