2-Methyl-1,5-hexadiene

• Catalog Number: ACM4049814
• Product Name: 2-Methyl-1,5-hexadiene
• CAS: 4049-81-4
• Category: Alkenes
• Synonyms: 2-Methyldiallyl, 2-METHYL-1,5-HEXADIENE, 1,5-Hexadiene, 2-methyl-, sym-Vinylisopropenylethane, 2-Methylhexa-1,5-diene, 557358_ALDRICH, NSC66540, MolPort-003-936-727, CID19965, EINECS 223-751-8, M0339, 4049-81-4, 27477-37-8
• IUPAC Name: 2-methylhexa-1,5-diene
• Molecular Weight: 96.17
• Molecular Formula: C₇H₁₀O
• Canonical SMILES: CC(=C)CCC=C
• InChI Key: SLQMKNPIYMOEGB-UHFFFAOYSA-N
• Boiling Point: 87ºC at 760mmHg
• Density: 0.717g/cm³
• EC Number: 223-751-8
• Exact Mass: 96.09390
• Hazard Statements: H228
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• RIDADR: UN 3295BF 3 / PGII
• Safety Description: 16-29-33
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 2-Methyl-1,5-hexadiene?

The molecular formula of 2-Methyl-1,5-hexadiene is C7H12.

What is the molecular weight of 2-Methyl-1,5-hexadiene?

The molecular weight of 2-Methyl-1,5-hexadiene is 96.17 g/mol.

What is the IUPAC name of 2-Methyl-1,5-hexadiene?

The IUPAC name of 2-Methyl-1,5-hexadiene is 2-methylhexa-1,5-diene.

What is the InChI of 2-Methyl-1,5-hexadiene?

The InChI of 2-Methyl-1,5-hexadiene is InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3.

What is the InChIKey of 2-Methyl-1,5-hexadiene?

The InChIKey of 2-Methyl-1,5-hexadiene is SLQMKNPIYMOEGB-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyl-1,5-hexadiene?

The canonical SMILES of 2-Methyl-1,5-hexadiene is CC(=C)CCC=C.

What is the CAS number of 2-Methyl-1,5-hexadiene?

The CAS number of 2-Methyl-1,5-hexadiene is 4049-81-4.

What is the XLogP3-AA value of 2-Methyl-1,5-hexadiene?

The XLogP3-AA value of 2-Methyl-1,5-hexadiene is 3.1.

How many rotatable bonds does 2-Methyl-1,5-hexadiene have?

2-Methyl-1,5-hexadiene has 3 rotatable bonds.

What is the topological polar surface area of 2-Methyl-1,5-hexadiene?

The topological polar surface area of 2-Methyl-1,5-hexadiene is 0Ų.