methylcyclohexane;rhenium

C7H13Re2- — CID 164573339

IUPACmethylcyclohexane;rhenium
SMILESCC1C[CH-]CCC1.[Re].[Re]
InChIInChI=1S/C7H13.2Re/c1-7-5-3-2-4-6-7;;/h3,7H,2,4-6H2,1H3;;/q-1;;
InChIKeyALHYTUZLVLBAOY-UHFFFAOYSA-N
MW469.60 g/mol
LogP2.40
Rot. Bonds

About methylcyclohexane;rhenium

methylcyclohexane;rhenium (PubChem CID 164573339) has the molecular formula C7H13Re2- and a molecular weight of 469.60 g/mol. Its IUPAC name is methylcyclohexane;rhenium.

Molecular Properties

Compound Namemethylcyclohexane;rhenium
PubChem CID164573339
Molecular FormulaC7H13Re2-
Molecular Weight469.60 g/mol
Exact Mass471.01
IUPAC Namemethylcyclohexane;rhenium
SMILESCC1C[CH-]CCC1.[Re].[Re]
InChIInChI=1S/C7H13.2Re/c1-7-5-3-2-4-6-7;;/h3,7H,2,4-6H2,1H3;;/q-1;;
InChIKeyALHYTUZLVLBAOY-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methylcyclohexane;rhenium with MolForge

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

Launch Full Analysis

Related Compounds

magnesium;methylcyclopentane;bromide
CID 20561687
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
1,2-dimethylcyclohexane;yttrium
CID 59098035
cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
erbium;tris(methylcyclopentane)
CID 91996115
cyclobutane;ethane;methylcyclobutane
CID 158121682
CID 158187464
CID 158187464
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;rhenium?
The IUPAC name of methylcyclohexane;rhenium (CID 164573339) is methylcyclohexane;rhenium.
What is the SMILES notation for methylcyclohexane;rhenium?
The canonical SMILES for methylcyclohexane;rhenium is CC1C[CH-]CCC1.[Re].[Re].
What is the InChIKey of methylcyclohexane;rhenium?
The InChIKey is ALHYTUZLVLBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13.2Re/c1-7-5-3-2-4-6-7;;/h3,7H,2,4-6H2,1H3;;/q-1;;.
What are the key properties of methylcyclohexane;rhenium?
methylcyclohexane;rhenium has a molecular weight of 469.60 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;rhenium is sourced from PubChem (CID 164573339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).