non-1-enylcyclohexane

C15H28 — CID 543491

IUPACnon-1-enylcyclohexane
SMILESCCCCCCCC=CC1CCCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h9,12,15H,2-8,10-11,13-14H2,1H3
InChIKeyMBCLPXXVLKGFPM-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds7

About non-1-enylcyclohexane

non-1-enylcyclohexane (PubChem CID 543491) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is non-1-enylcyclohexane.

Molecular Properties

Compound Namenon-1-enylcyclohexane
PubChem CID543491
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Namenon-1-enylcyclohexane
SMILESCCCCCCCC=CC1CCCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h9,12,15H,2-8,10-11,13-14H2,1H3
InChIKeyMBCLPXXVLKGFPM-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze non-1-enylcyclohexane 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 non-1-enylcyclohexane?
The IUPAC name of non-1-enylcyclohexane (CID 543491) is non-1-enylcyclohexane.
What is the SMILES notation for non-1-enylcyclohexane?
The canonical SMILES for non-1-enylcyclohexane is CCCCCCCC=CC1CCCCC1.
What is the InChIKey of non-1-enylcyclohexane?
The InChIKey is MBCLPXXVLKGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h9,12,15H,2-8,10-11,13-14H2,1H3.
What are the key properties of non-1-enylcyclohexane?
non-1-enylcyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-enylcyclohexane is sourced from PubChem (CID 543491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).