Cas no 10208-68-1 (11-Dodecene-2,6,10-triol, 2,6,10-trimethyl- (8CI,9CI))
10208-68-1 structure
Product Name:11-Dodecene-2,6,10-triol, 2,6,10-trimethyl- (8CI,9CI)
CAS No:10208-68-1
MF:C15H30O3
MW:258.396905422211
CID:173599
Update Time:2024-03-01
11-Dodecene-2,6,10-triol, 2,6,10-trimethyl- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- 11-Dodecene-2,6,10-triol,2,6,10-trimethyl- (8CI,9CI)
- Caparrapitriol(7CI)
- Caparrapitriol
- CID 101289674
- 11-Dodecene-2,6,10-triol, 2,6,10-trimethyl- (8CI,9CI)
-
- Inchi： 1S/C15H30O3/c1-6-14(4,17)10-8-12-15(5,18)11-7-9-13(2,3)16/h6,16-18H,1,7-12H2,2-5H3
- InChI Key： IHSSOBBPIDCMER-UHFFFAOYSA-N
- SMILES： OC(C)(CCCC(C=C)(C)O)CCCC(C)(C)O
Computed Properties
- Exact Mass: 258.219
- Monoisotopic Mass: 258.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 263
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7
- XLogP3: 2.39
Experimental Properties
- Density: 0.979±0.06 g/cm3(Predicted)
- Melting Point: 96-97 °C
- Boiling Point: 399.8±27.0 °C(Predicted)
- pka: 14.53±0.29(Predicted)
11-Dodecene-2,6,10-triol, 2,6,10-trimethyl- (8CI,9CI) Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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