2-Methyloctane

• CAS: 3221-61-2
• Catalog Number: ACM3221612
• Category: Alkanes
• Molecular Weight: 128.25
• Molecular Formula: C9H20
• Synonyms: Octane, 2-methyl-
• Complexity: 46
• Defined Atom Stereocenter Count: 0
• Exact Mass: 128.1565
• Formal Charge: 0
• Hazard Statements: H302
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 128.1565
• RIDADR: UN 3295BF 3 / PGII
• Rotatable Bond Count: 5
• Symbol: GHS07
• Topological Polar Surface Area: 0 Ų
• XLogP3-AA: 4.8

Custom Q&A

What is the molecular formula of 2-Methyloctane?

The molecular formula of 2-Methyloctane is C9H20.

What is the molecular weight of 2-Methyloctane?

The molecular weight of 2-Methyloctane is 128.25 g/mol.

What is the IUPAC name of 2-Methyloctane?

The IUPAC name of 2-Methyloctane is 2-methyloctane.

What is the InChI of 2-Methyloctane?

The InChI of 2-Methyloctane is InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3.

What is the InChIKey of 2-Methyloctane?

The InChIKey of 2-Methyloctane is ZUBZATZOEPUUQF-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Methyloctane?

The canonical SMILES of 2-Methyloctane is CCCCCCC(C)C.

What is the CAS number of 2-Methyloctane?

The CAS number of 2-Methyloctane is 3221-61-2.

What is the UNII of 2-Methyloctane?

The UNII of 2-Methyloctane is AV5KXW7I9L.

What is the XLogP3-AA value of 2-Methyloctane?

The XLogP3-AA value of 2-Methyloctane is 4.8.

What is the rotatable bond count of 2-Methyloctane?

The rotatable bond count of 2-Methyloctane is 5.