2,3-dimethylbut-2-ene

C6H12 — CID 11250

IUPAC2,3-dimethylbut-2-ene
SMILESCC(C)=C(C)C
InChIInChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3
InChIKeyWGLLSSPDPJPLOR-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.36
Rot. Bonds

About 2,3-dimethylbut-2-ene

2,3-dimethylbut-2-ene (PubChem CID 11250) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name2,3-dimethylbut-2-ene
PubChem CID11250
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name2,3-dimethylbut-2-ene
SMILESCC(C)=C(C)C
InChIInChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3
InChIKeyWGLLSSPDPJPLOR-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbut-2-ene?
The IUPAC name of 2,3-dimethylbut-2-ene (CID 11250) is 2,3-dimethylbut-2-ene.
What is the SMILES notation for 2,3-dimethylbut-2-ene?
The canonical SMILES for 2,3-dimethylbut-2-ene is CC(C)=C(C)C.
What is the InChIKey of 2,3-dimethylbut-2-ene?
The InChIKey is WGLLSSPDPJPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3.
What are the key properties of 2,3-dimethylbut-2-ene?
2,3-dimethylbut-2-ene has a molecular weight of 84.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbut-2-ene is sourced from PubChem (CID 11250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).