1,3-Propanediyl dilaurate
Basic information
- CAS
26719-54-0- Standard SMILES
CCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCC- InChIKey
RREUCPUHQJKHDY-UHFFFAOYSA-N- Molecular formula
- C27H52O4
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.38656014
Names & identifiers
- Preferred name
- 1,3-Propanediyl dilaurate
- IUPAC
- 3-dodecanoyloxypropyl dodecanoate
- English name
- Dodecanoic acid 3-dodecanoyloxy-propyl ester
- Molecular formula
- C27H52O4
- Molecular weight
- 440.7
Names & synonyms
1,3-Propanediyl dilaurate26719-54-01,3-Propanediol, dilaurateHLO1P273IALauric acid, trimethylene ester3-dodecanoyloxypropyl dodecanoateUNII-HLO1P273IADodecanoic acid, 1,3-propanediyl esterLauric acid, ester with 1,3-propanediolDodecanoic acid, 1,1'-(1,3-propanediyl) esterDodecanoic acid 3-dodecanoyloxy-propyl esterSCHEMBL3502231
Show more names
Propane-1,3-diyl didodecanoateDTXSID80336930RREUCPUHQJKHDY-UHFFFAOYSA-N3-(Dodecanoyloxy)propyl laurate #NS00095997Q27279992
Database identifiers
- CAS
26719-54-0- PubChem CID
- 537376
- DTXSID
DTXSID80336930- UNII
- HLO1P273IA
- Nikkaji
- J1.819.452J
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- FDA UNII
- 1 P273IA · HLO1P273IA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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