Butyl ricinoleate

• CAS: 151-13-3
• Catalog Number: ACM151133-1
• Category: Polymer/Macromolecule
• Molecular Weight: 354.6
• Molecular Formula: C22H42O3
• Synonyms: (R,Z)-Butyl 12-hydroxyoctadec-9-enoate
• IUPAC Name: Butyl (Z,12R)-12-hydroxyoctadec-9-enoate
• Canonical SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O
• InChI: InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1
• InChI Key: HGWAKQDTQVDVRP-OKULMJQMSA-N
• Boiling Point: 185 °C
• Melting Point: -10°C
• Flash Point: 115 °C
• Density: 0.919 g/cm3
• Alpha Sort: Butyl ricinoleate
• Complexity: 312
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Exact Mass: 354.3133952
• Formal Charge: 0
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)O
• Isotope Atom Count: 0
• Monoisotopic Mass: 354.3133952
• Physical State: Liquid
• Rotatable Bond Count: 19
• Topological Polar Surface Area: 46.5 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 0.3cs (25°C)

Custom Q&A

What is the molecular formula of butyl ricinoleate?

The molecular formula of butyl ricinoleate is C22H42O3.

What is the molecular weight of butyl ricinoleate?

The molecular weight of butyl ricinoleate is 354.6 g/mol.

What is the IUPAC name of butyl ricinoleate?

The IUPAC name of butyl ricinoleate is butyl (Z,12R)-12-hydroxyoctadec-9-enoate.

What is the canonical SMILES notation for butyl ricinoleate?

The canonical SMILES notation for butyl ricinoleate is CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)O.

How many hydrogen bond donor count does butyl ricinoleate have?

Butyl ricinoleate has one hydrogen bond donor count.

What is the XLogP3-AA value for butyl ricinoleate?

The XLogP3-AA value for butyl ricinoleate is 7.3.

How many rotatable bond count does butyl ricinoleate have?

Butyl ricinoleate has 19 rotatable bond counts.

What is the topological polar surface area of butyl ricinoleate?

The topological polar surface area of butyl ricinoleate is 46.5 Ų.

How many defined atom stereocenter count does butyl ricinoleate have?

Butyl ricinoleate has 1 defined atom stereocenter count.

What is the CAS number of butyl ricinoleate?

The CAS number of butyl ricinoleate is 151-13-3.