Propyl oleate

• CAS: 111-59-1
• Catalog Number: ACM111591-1
• Category: Polymer/Macromolecule
• Molecular Weight: 324.5
• Molecular Formula: C21H40O2
• Synonyms: Propyl 9-octadecenoate
• IUPAC Name: Propyl (Z)-octadec-9-enoate
• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCC
• InChI: InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11-
• InChI Key: BVWMJLIIGRDFEI-QXMHVHEDSA-N
• Boiling Point: 216-220 °C
• Melting Point: -32.8 °C
• Flash Point: 330°F
• Density: 0.8699 g/cm3
• Appearance: Clear Liquid
• Alpha Sort: Propyl oleate
• Complexity: 271
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Exact Mass: 324.302830514
• Formal Charge: 0
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCC
• Isotope Atom Count: 0
• Monoisotopic Mass: 324.302830514
• Physical State: Liquid
• Rotatable Bond Count: 18
• Topological Polar Surface Area: 26.3 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Q&A

What is the molecular formula of propyl oleate?

The molecular formula of propyl oleate is C21H40O2.

When was propyl oleate created and last modified?

Propyl oleate was created on March 26, 2005, and last modified on December 2, 2023.

What is the IUPAC name of propyl oleate?

The IUPAC name of propyl oleate is propyl (Z)-octadec-9-enoate.

What is the InChIKey of propyl oleate?

The InChIKey of propyl oleate is BVWMJLIIGRDFEI-QXMHVHEDSA-N.

How many hydrogen bond acceptor counts does propyl oleate have?

Propyl oleate has 2 hydrogen bond acceptor counts.

What is the exact mass of propyl oleate?

The exact mass of propyl oleate is 324.302830514 g/mol.

How many rotatable bond counts does propyl oleate have?

Propyl oleate has 18 rotatable bond counts.

How many heavy atom counts does propyl oleate have?

Propyl oleate has 23 heavy atom counts.

What is the topological polar surface area of propyl oleate?

The topological polar surface area of propyl oleate is 26.3 Ų.

How many defined bond stereocenter counts does propyl oleate have?

Propyl oleate has 1 defined bond stereocenter count.