But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane

C₁₉H₄₆ — CID 159620632

About But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane

But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane (PubChem CID 159620632) has the molecular formula C₁₉H₄₆ and a molecular weight of 274.58 g/mol. Its IUPAC name is but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane.

Molecular Properties

• Compound Name: But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane
• PubChem CID: 159620632
• Molecular Formula: C₁₉H₄₆
• Molecular Weight: 274.58 g/mol
• Exact Mass: 274.36
• IUPAC Name: but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane
• SMILES: C.C.C.C.CC#CC.CC(C)(C)C.CC(C)=C(C)C
• InChI: InChI=1S/C6H12.C5H12.C4H6.4CH4/c1-5(2)6(3)4;1-5(2,3)4;1-3-4-2;;;;/h1-4H3;1-4H3;1-2H3;4*1H4
• InChIKey: MNVJKXJUCRTQGQ-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 0.00 Ų
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	274.58
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?

The IUPAC name of But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane (CID 159620632) is but-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane.

What is the SMILES notation for But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?

The canonical SMILES for But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane is C.C.C.C.CC#CC.CC(C)(C)C.CC(C)=C(C)C.

What is the InChIKey of But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?

The InChIKey is MNVJKXJUCRTQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H12.C4H6.4CH4/c1-5(2)6(3)4;1-5(2,3)4;1-3-4-2;;;;/h1-4H3;1-4H3;1-2H3;4*1H4.

What are the key properties of But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane?

But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane has a molecular weight of 274.58 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for But-2-yne;2,3-dimethylbut-2-ene;2,2-dimethylpropane;methane is sourced from PubChem (CID 159620632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159620632 — identifiers, structure, computed properties (public domain)

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