4-Methyl-1-Pentanol

• CAS: 626-89-1
• Catalog Number: ACM626891
• Category: Alcohols
• Molecular Weight: 102.17
• Molecular Formula: C6H14O
• Synonyms: Isohexanol
• IUPAC Name: 4-methylpentan-1-ol
• Canonical SMILES: CC(C)CCCO
• InChI: InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
• InChI Key: PCWGTDULNUVNBN-UHFFFAOYSA-N
• Boiling Point: 160-165 °C (lit.)
• Solubility: 0.07 M
• Complexity: 33.2
• Covalently-Bonded Unit Count: 1
• EC Number: 210-969-3
• Exact Mass: 102.104465066g/mol
• Hazard Statements: H226
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 102.104465066g/mol
• NSC Number: 91492
• Refractive Index: 1.414 (lit.)
• RIDADR: UN 2053 3 / PGIII
• Rotatable Bond Count: 3
• Symbol: GHS02
• Topological Polar Surface Area: 20.2Ų
• UNII: X796XFP7D4
• XLogP3: 1.6

Custom Q&A

What is the molecular formula of 4-Methyl-1-pentanol?

The molecular formula of 4-Methyl-1-pentanol is C6H14O.

What is the molecular weight of 4-Methyl-1-pentanol?

The molecular weight of 4-Methyl-1-pentanol is 102.17 g/mol.

What is the IUPAC name of 4-Methyl-1-pentanol?

The IUPAC name of 4-Methyl-1-pentanol is 4-methylpentan-1-ol.

What is the InChI of 4-Methyl-1-pentanol?

The InChI of 4-Methyl-1-pentanol is InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3.

How many hydrogen bond donors are present in 4-Methyl-1-pentanol?

There is 1 hydrogen bond donor in 4-Methyl-1-pentanol.

How many hydrogen bond acceptors are present in 4-Methyl-1-pentanol?

There is 1 hydrogen bond acceptor in 4-Methyl-1-pentanol.

How many rotatable bonds are present in 4-Methyl-1-pentanol?

There are 3 rotatable bonds in 4-Methyl-1-pentanol.

What is the topological polar surface area of 4-Methyl-1-pentanol?

The topological polar surface area of 4-Methyl-1-pentanol is 20.2Ų.

How many heavy atoms are present in 4-Methyl-1-pentanol?

There are 7 heavy atoms in 4-Methyl-1-pentanol.

What is the formal charge of 4-Methyl-1-pentanol?

The formal charge of 4-Methyl-1-pentanol is 0.