ethene;toluene

C11H16 — CID 22237200

IUPACethene;toluene
SMILESC=C.C=C.Cc1ccccc1
InChIInChI=1S/C7H8.2C2H4/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1-2H2
InChIKeyROXSUKUCXOVPOB-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.60
Rot. Bonds

About ethene;toluene

ethene;toluene (PubChem CID 22237200) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is ethene;toluene.

Molecular Properties

Compound Nameethene;toluene
PubChem CID22237200
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nameethene;toluene
SMILESC=C.C=C.Cc1ccccc1
InChIInChI=1S/C7H8.2C2H4/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1-2H2
InChIKeyROXSUKUCXOVPOB-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethene;toluene 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 ethene;toluene?
The IUPAC name of ethene;toluene (CID 22237200) is ethene;toluene.
What is the SMILES notation for ethene;toluene?
The canonical SMILES for ethene;toluene is C=C.C=C.Cc1ccccc1.
What is the InChIKey of ethene;toluene?
The InChIKey is ROXSUKUCXOVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C2H4/c1-7-5-3-2-4-6-7;2*1-2/h2-6H,1H3;2*1-2H2.
What are the key properties of ethene;toluene?
ethene;toluene has a molecular weight of 148.25 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;toluene is sourced from PubChem (CID 22237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).