Dihexyl azelate

• CAS: 109-31-9
• Catalog Number: ACM109319-1
• Category: Polymer/Macromolecule
• Molecular Weight: 356.5
• Molecular Formula: C21H40O4
• Synonyms: Di-n-hexyl azelate
• IUPAC Name: Dihexyl nonanedioate
• Canonical SMILES: CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC
• InChI: InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
• InChI Key: MJOKHGMXPJXFTG-UHFFFAOYSA-N
• Boiling Point: 282 °C
• Melting Point: -7.9°C
• Flash Point: >230 °F
• Density: 0.93 g/mL
• Alpha Sort: Dihexyl azelate
• Complexity: 285
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 356.29265975
• Formal Charge: 0
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 356.29265975
• Physical State: Liquid
• Rotatable Bond Count: 20
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 7.9 (38°C)

Custom Q&A

What is the PubChem CID of Dihexyl azelate?

PubChem CID 7985.

What is the molecular formula of Dihexyl azelate?

The molecular formula is C21H40O4.

What are the synonyms of Dihexyl azelate?

The synonyms are Di-n-hexyl azelate, dihexyl nonanedioate, and DIHEXYL AZELATE.

What is the molecular weight of Dihexyl azelate?

The molecular weight is 356.5 g/mol.

When was Dihexyl azelate created and last modified?

It was created on 2005-03-27 and last modified on 2023-12-02.

What is the IUPAC name of Dihexyl azelate?

The IUPAC name is dihexyl nonanedioate.

What is the InChI of Dihexyl azelate?

The InChI is InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3.

What is the InChIKey of Dihexyl azelate?

The InChIKey is MJOKHGMXPJXFTG-UHFFFAOYSA-N.

What is the canonical SMILES of Dihexyl azelate?

The canonical SMILES is CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC.

Is Dihexyl azelate a canonicalized compound?

Yes, Dihexyl azelate is a canonicalized compound.