2-Methyl-1-hexen-3-yne

• Catalog Number: ACM23056942
• Product Name: 2-Methyl-1-hexen-3-yne
• CAS: 23056-94-2
• Category: Alkynes
• Synonyms: 1-Hexen-3-yne, 2-methyl-, 2-Methyl-1-hexen-3-yne, 483125_ALDRICH, C2H5C.$.CC(CH3)=CH2, C2H5C.equiv.CC(CH3)=CH2, CID140990, SBB009065, 23056-94-2
• IUPAC Name: 2-methylhex-1-en-3-yne
• Molecular Weight: 94.15
• Molecular Formula: C₇H₁₀
• Canonical SMILES: CCC#CC(=C)C
• InChI Key: IXPWKHNDQICVPZ-UHFFFAOYSA-N
• Boiling Point: 103ºC
• Flash Point: 7.9ºC
• Density: 0.75
• Exact Mass: 94.07830
• Hazard Statements: H225
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 3295BF 3 / PGII
• Safety Description: S16-S23-S33-S62
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 2-Methyl-1-hexen-3-yne?

The molecular formula of 2-Methyl-1-hexen-3-yne is C7H10.

What is the molecular weight of 2-Methyl-1-hexen-3-yne?

The molecular weight of 2-Methyl-1-hexen-3-yne is 94.15 g/mol.

What is the IUPAC name of 2-Methyl-1-hexen-3-yne?

The IUPAC name of 2-Methyl-1-hexen-3-yne is 2-methylhex-1-en-3-yne.

What is the InChI of 2-Methyl-1-hexen-3-yne?

The InChI of 2-Methyl-1-hexen-3-yne is InChI=1S/C7H10/c1-4-5-6-7(2)3/h2,4H2,1,3H3.

What is the InChIKey of 2-Methyl-1-hexen-3-yne?

The InChIKey of 2-Methyl-1-hexen-3-yne is IXPWKHNDQICVPZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-1-hexen-3-yne?

The canonical SMILES of 2-Methyl-1-hexen-3-yne is CCC#CC(=C)C.

What is the CAS number of 2-Methyl-1-hexen-3-yne?

The CAS number of 2-Methyl-1-hexen-3-yne is 23056-94-2.

What is the XLogP3-AA value of 2-Methyl-1-hexen-3-yne?

The XLogP3-AA value of 2-Methyl-1-hexen-3-yne is 2.9.

How many rotatable bonds does 2-Methyl-1-hexen-3-yne have?

2-Methyl-1-hexen-3-yne has 1 rotatable bond.

Is 2-Methyl-1-hexen-3-yne a canonicalized compound?

Yes, 2-Methyl-1-hexen-3-yne is a canonicalized compound.