Cas no 92908-40-2 (9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol undecanoate)
92908-40-2 structure
Product Name:9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol undecanoate
CAS No:92908-40-2
MF:C32H60O5
MW:524.815811157227
CID:999120
Update Time:2023-08-03
9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol undecanoate Chemical and Physical Properties
Names and Identifiers
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- 9-octadecenoic acid (z)-, ester with 1,2,3-propanetriol undecanoate
- (2-hydroxy-3-undecanoyloxypropyl) (Z)-octadec-9-enoate
- 9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol undecanoate
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- Inchi： 1S/C32H60O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-32(35)37-29-30(33)28-36-31(34)26-24-22-20-12-10-8-6-4-2/h15-16,30,33H,3-14,17-29H2,1-2H3/b16-15-
- InChI Key： QTHZDEIKSKHVTL-NXVVXOECSA-N
- SMILES： O(CC(COC(CCCCCCC/C=C\CCCCCCCC)=O)O)C(CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 524.444
- Monoisotopic Mass: 524.444
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 37
- Rotatable Bond Count: 30
- Complexity: 531
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.8
9-Octadecenoic acid (Z)-, ester with 1,2,3-propanetriol undecanoate Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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