methylcyclohexane

C7H14 — CID 7962

IUPACmethylcyclohexane
SMILESCC1CCCCC1
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyUAEPNZWRGJTJPN-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.59
Rot. Bonds

About methylcyclohexane

methylcyclohexane (PubChem CID 7962) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is methylcyclohexane.

Molecular Properties

Compound Namemethylcyclohexane
PubChem CID7962
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Namemethylcyclohexane
SMILESCC1CCCCC1
InChIInChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKeyUAEPNZWRGJTJPN-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methylcyclohexane 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 methylcyclohexane?
The IUPAC name of methylcyclohexane (CID 7962) is methylcyclohexane.
What is the SMILES notation for methylcyclohexane?
The canonical SMILES for methylcyclohexane is CC1CCCCC1.
What is the InChIKey of methylcyclohexane?
The InChIKey is UAEPNZWRGJTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3.
What are the key properties of methylcyclohexane?
methylcyclohexane has a molecular weight of 98.19 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane is sourced from PubChem (CID 7962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).