Basic information
- CAS
6940-09-6- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1CCCO1- InChIKey
RYQKMSDUKYBZSD-UHFFFAOYSA-N- Molecular formula
- C23H44O3
- Average molar mass
- 368.6 g/mol
- Monoisotopic mass
- 368.32904526
Names & identifiers
- Preferred name
- Tetrahydrofurfuryl stearate
- IUPAC
- oxolan-2-ylmethyl octadecanoate
- English name
- Octadecanoic acid 2-oxolanylmethyl ester
- Molecular formula
- C23
- Molecular weight
- 0
Names & synonyms
Tetrahydrofurfuryl stearate6940-09-6Octadecanoic acid, (tetrahydro-2-furanyl)methyl esterEINECS 230-080-4NSC 38463AI3-03516RefChem:188673230-080-4oxolan-2-ylmethyl octadecanoate(oxolan-2-yl)methyl octadecanoateNSC38463SCHEMBL3163763
Show more names
Octadecanoic acid 2-oxolanylmethyl ester
DTXSID80871174RYQKMSDUKYBZSD-UHFFFAOYSA-NNSC-38463NS00043286
Database identifiers
- CAS
6940-09-6- PubChem CID
- 97771
- DTXSID
DTXSID80871174- EC Number
- 230-080-4
- Nikkaji
- J265.972G
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 22 °C · 22°C
- Boiling point
- 438.89 °C · 438.89°C (rough estimate)
- Density
- 0.914 · 0.9140
- refractive index
- 1.47 · 1.4700 (estimate)
- LogP
- 8.5 · 8.500 (est)
Chemistry & industry
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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