3-Methyl-1-hexyne

• Catalog Number: ACM40276935
• Product Name: 3-Methyl-1-hexyne
• CAS: 40276-93-5
• Category: Alkynes
• Synonyms: 3-Methyl-1-hexyne, 1-Hexyne, 3-methyl-, CID142422, 40276-93-5
• IUPAC Name: 3-methylhex-1-yne
• Molecular Weight: 96.17
• Molecular Formula: C₇H₁₂
• Canonical SMILES: CCCC(C)C#C
• InChI Key: OPZULQHRFNTFFZ-UHFFFAOYSA-N
• Boiling Point: 85ºC at 760 mmHg
• Density: 0.710 g/mL at 25ºC
• Exact Mass: 96.09390
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 1993 / PGIII
• Safety Description: S16-S29-S33-S62
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Methyl-1-hexyne?

The molecular formula of 3-Methyl-1-hexyne is C7H12.

What is the molecular weight of 3-Methyl-1-hexyne?

The molecular weight of 3-Methyl-1-hexyne is 96.17 g/mol.

What is the IUPAC name of 3-Methyl-1-hexyne?

The IUPAC name of 3-Methyl-1-hexyne is 3-methylhex-1-yne.

What is the InChI of 3-Methyl-1-hexyne?

The InChI of 3-Methyl-1-hexyne is InChI=1S/C7H12/c1-4-6-7(3)5-2/h2,7H,4,6H2,1,3H3.

What is the InChIKey of 3-Methyl-1-hexyne?

The InChIKey of 3-Methyl-1-hexyne is OPZULQHRFNTFFZ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methyl-1-hexyne?

The canonical SMILES of 3-Methyl-1-hexyne is CCCC(C)C#C.

What is the CAS number of 3-Methyl-1-hexyne?

The CAS number of 3-Methyl-1-hexyne is 40276-93-5.

What is the European Community (EC) number of 3-Methyl-1-hexyne?

The European Community (EC) number of 3-Methyl-1-hexyne is 624-987-8.

What is the XLogP3-AA value of 3-Methyl-1-hexyne?

The XLogP3-AA value of 3-Methyl-1-hexyne is 2.8.

Is 3-Methyl-1-hexyne a canonicalized compound?

Yes, 3-Methyl-1-hexyne is a canonicalized compound.