4-methyl-3-hexanol

• CAS: 615-29-2
• Catalog Number: ACM615292
• Category: Insect Pheromone
• Molecular Weight: 116.204
• Molecular Formula: C7H16O
• Synonyms: 4-methylhexan-3-ol;2-Ethyl-3-pentanol, 4-Methylhexan-3-ol, 3-Hexanol, 4-methyl-, 3-Methyl-4-hexanol, 4-METHYL-3-HEXANOL, NSC91500, MolPort-003-910-334, CID11991, EINECS 210-419-2, 615-29-2
• IUPAC Name: 4-methylhexan-3-ol
• Canonical SMILES: CCC(C)C(CC)O
• InChI: InChI=1S/C7H16O/c1-4-6(3)7(8)5-2/h6-8H,4-5H2,1-3H3
• InChI Key: NZPGYIBESMMUFU-UHFFFAOYSA-N
• Boiling Point: 152.7ºC at 760 mmHg
• Flash Point: 51.6ºC
• Density: 0.816g/cm³
• EC Number: 210-419-2
• Exact Mass: 116.12000
• H-Bond Acceptor: 1
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 4-methyl-3-hexanol?

The molecular formula of 4-methyl-3-hexanol is C7H16O.

What is the molecular weight of 4-methyl-3-hexanol?

The molecular weight of 4-methyl-3-hexanol is 116.20 g/mol.

What is the IUPAC name of 4-methyl-3-hexanol?

The IUPAC name of 4-methyl-3-hexanol is 4-methylhexan-3-ol.

What is the InChIKey of 4-methyl-3-hexanol?

The InChIKey of 4-methyl-3-hexanol is NZPGYIBESMMUFU-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-methyl-3-hexanol have?

4-methyl-3-hexanol has 1 hydrogen bond donor count.

What is the exact mass of 4-methyl-3-hexanol?

The exact mass of 4-methyl-3-hexanol is 116.120115130 g/mol.

How many rotatable bond counts does 4-methyl-3-hexanol have?

4-methyl-3-hexanol has 3 rotatable bond counts.

What is the topological polar surface area of 4-methyl-3-hexanol?

The topological polar surface area of 4-methyl-3-hexanol is 20.2 2.

Does 4-methyl-3-hexanol have any defined atom stereocenter counts?

No, 4-methyl-3-hexanol does not have any defined atom stereocenter counts.

Is 4-methyl-3-hexanol a canonicalized compound?

Yes, 4-methyl-3-hexanol is a canonicalized compound.