methylcyclopentane

C6H11+ — CID 12724627

IUPACmethylcyclopentane
SMILESC[C+]1CCCC1
InChIInChI=1S/C6H11/c1-6-4-2-3-5-6/h2-5H2,1H3/q+1
InChIKeyYGJMITWOKVOPSF-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.15
Rot. Bonds

About methylcyclopentane

methylcyclopentane (PubChem CID 12724627) has the molecular formula C6H11+ and a molecular weight of 83.15 g/mol. Its IUPAC name is methylcyclopentane.

Molecular Properties

Compound Namemethylcyclopentane
PubChem CID12724627
Molecular FormulaC6H11+
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Namemethylcyclopentane
SMILESC[C+]1CCCC1
InChIInChI=1S/C6H11/c1-6-4-2-3-5-6/h2-5H2,1H3/q+1
InChIKeyYGJMITWOKVOPSF-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methylcyclopentane 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 methylcyclopentane?
The IUPAC name of methylcyclopentane (CID 12724627) is methylcyclopentane.
What is the SMILES notation for methylcyclopentane?
The canonical SMILES for methylcyclopentane is C[C+]1CCCC1.
What is the InChIKey of methylcyclopentane?
The InChIKey is YGJMITWOKVOPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-6-4-2-3-5-6/h2-5H2,1H3/q+1.
What are the key properties of methylcyclopentane?
methylcyclopentane has a molecular weight of 83.15 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclopentane is sourced from PubChem (CID 12724627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).