CID 11415636

C13H17ClRu+ — CID 11415636

IUPAC—
SMILESC1=CCCC=CCC1.Cl[Ru+].[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H12.C5H5.ClH.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;;/h1-2,7-8H,3-6H2;1-5H;1H;/q;;;+2/p-1
InChIKeyXRFPPYAISZJROQ-UHFFFAOYSA-M
MW309.80 g/mol
LogP4.38
Rot. Bonds

About CID 11415636

CID 11415636 (PubChem CID 11415636) has the molecular formula C13H17ClRu+ and a molecular weight of 309.80 g/mol.

Molecular Properties

Compound NameCID 11415636
PubChem CID11415636
Molecular FormulaC13H17ClRu+
Molecular Weight309.80 g/mol
Exact Mass310.01
IUPAC Name—
SMILESC1=CCCC=CCC1.Cl[Ru+].[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H12.C5H5.ClH.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;;/h1-2,7-8H,3-6H2;1-5H;1H;/q;;;+2/p-1
InChIKeyXRFPPYAISZJROQ-UHFFFAOYSA-M
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.38
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 CID 11415636?
The IUPAC name of CID 11415636 (CID 11415636) is not available.
What is the SMILES notation for CID 11415636?
The canonical SMILES for CID 11415636 is C1=CCCC=CCC1.Cl[Ru+].[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11415636?
The InChIKey is XRFPPYAISZJROQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12.C5H5.ClH.Ru/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;;/h1-2,7-8H,3-6H2;1-5H;1H;/q;;;+2/p-1.
What are the key properties of CID 11415636?
CID 11415636 has a molecular weight of 309.80 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11415636 is sourced from PubChem (CID 11415636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).