bis(2,3-dimethylbut-2-ene);methane

C13H28 — CID 162234102

IUPACbis(2,3-dimethylbut-2-ene);methane
SMILESC.CC(C)=C(C)C.CC(C)=C(C)C
InChIInChI=1S/2C6H12.CH4/c2*1-5(2)6(3)4;/h2*1-4H3;1H4
InChIKeyZVVHTRRDZRWBCO-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.36
Rot. Bonds

About bis(2,3-dimethylbut-2-ene);methane

bis(2,3-dimethylbut-2-ene);methane (PubChem CID 162234102) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is bis(2,3-dimethylbut-2-ene);methane.

Molecular Properties

Compound Namebis(2,3-dimethylbut-2-ene);methane
PubChem CID162234102
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Namebis(2,3-dimethylbut-2-ene);methane
SMILESC.CC(C)=C(C)C.CC(C)=C(C)C
InChIInChI=1S/2C6H12.CH4/c2*1-5(2)6(3)4;/h2*1-4H3;1H4
InChIKeyZVVHTRRDZRWBCO-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2,3-dimethylbut-2-ene);methane 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 bis(2,3-dimethylbut-2-ene);methane?
The IUPAC name of bis(2,3-dimethylbut-2-ene);methane (CID 162234102) is bis(2,3-dimethylbut-2-ene);methane.
What is the SMILES notation for bis(2,3-dimethylbut-2-ene);methane?
The canonical SMILES for bis(2,3-dimethylbut-2-ene);methane is C.CC(C)=C(C)C.CC(C)=C(C)C.
What is the InChIKey of bis(2,3-dimethylbut-2-ene);methane?
The InChIKey is ZVVHTRRDZRWBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12.CH4/c2*1-5(2)6(3)4;/h2*1-4H3;1H4.
What are the key properties of bis(2,3-dimethylbut-2-ene);methane?
bis(2,3-dimethylbut-2-ene);methane has a molecular weight of 184.37 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylbut-2-ene);methane is sourced from PubChem (CID 162234102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).