Cas no 91423-46-0 ((S-(all-E))-3-(1,3,4,7,9-Dodecapentaenyloxy)-1,2-propanediol)
91423-46-0 structure
Product Name:(S-(all-E))-3-(1,3,4,7,9-Dodecapentaenyloxy)-1,2-propanediol
CAS No:91423-46-0
MF:C15H22O3
MW:250.333384990692
CID:805032
PubChem ID:6437067
Update Time:2025-04-19
(S-(all-E))-3-(1,3,4,7,9-Dodecapentaenyloxy)-1,2-propanediol Chemical and Physical Properties
Names and Identifiers
-
- (S-(all-E))-3-(1,3,4,7,9-Dodecapentaenyloxy)-1,2-propanediol
- (2S)-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
- ALL-TRANSFECAPENTAENE-12
- FECAPENTAENE12
- 91423-46-0
- Fecapentaene-12
- CCRIS 830
- MJL635TEW7
- 3'-(1,3,5,7,9-Dodecapentaenyloxy)-1',2'-propanediol
- all-trans-Fecapentaene 12
- Q27284071
- 3-(1,3,5,7,9-DODECAPENTAENYLOXY)-1,2-PROPANEDIOL, (S-(ALL-E))-
- 1,2-PROPANEDIOL, 3-((1E,3E,5E,7E,9E)-1,3,5,7,9-DODECAPENTAEN-1-YLOXY)-, (2S)-
- (S-(ALL-E))-3-(1,3,5,7,9-DODECAPENTAENYLOXY)-1,2-PROPANEDIOL [MI]
- Fecapentaene 12
- 1,2-Propanediol, 3-((1E,3E,5E,7E,9E)-1,3,5,7,9-dodecapentaenyloxy)-, (2S)-
- CHEMBL454514
- (S)-Fecapentaene-12
- UNII-MJL635TEW7
- 1,2-Propanediol, 3-(1,3,5,7,9-dodecapentaenyloxy)-, (all-E)-
-
- Inchi： 1S/C15H22O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-12,15-17H,2,13-14H2,1H3/b4-3+,6-5+,8-7+,10-9+,12-11+/t15-/m0/s1
- InChI Key： CQBOBCAMYWRTNO-CFEYUBAXSA-N
- SMILES： O(/C=C/C=C/C=C/C=C/C=C/CC)C[C@H](CO)O
Computed Properties
- Exact Mass: 250.15700
- Monoisotopic Mass: 250.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 312
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 5
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 1.1109 (rough estimate)
- Boiling Point: 333.47°C (rough estimate)
- Refractive Index: 1.5020 (estimate)
- PSA: 49.69000
- LogP: 2.50470
(S-(all-E))-3-(1,3,4,7,9-Dodecapentaenyloxy)-1,2-propanediol Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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