Cas no 102608-53-7 (1-Hexadecen-2-ol,3,7,11,15-tetramethyl-)
102608-53-7 structure
Product Name:1-Hexadecen-2-ol,3,7,11,15-tetramethyl-
CAS No:102608-53-7
MF:C20H40O
MW:296.531006813049
CID:174779
Update Time:2024-01-26
1-Hexadecen-2-ol,3,7,11,15-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecen-2-ol,3,7,11,15-tetramethyl-
- 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl
- 3,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL
- PHYTOL
- 3,7,11,15-Tetramethyl-2-hex
- (2E)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
- 1-Hexadecen-2-ol, 3,7,11,15-tetramethyl-
- Imidaprilat Impurity 1
- 3,7,11,15-tetramethylhexadec-1-en-2-ol
-
- Inchi： 1S/C20H40O/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(6)21/h16-19,21H,6-15H2,1-5H3
- InChI Key： XXLGVDYVNLIUQZ-UHFFFAOYSA-N
- SMILES： C=C(O)C(C)CCCC(C)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 296.3081
- Monoisotopic Mass: 296.308
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- Density: 0.85?g/mL?at 25?°C(lit.)
- Boiling Point: 202-204?°C10?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.463(lit.)
- PSA: 20.23
- LogP: 6.36410
- pka: 10.88±0.50(Predicted)
1-Hexadecen-2-ol,3,7,11,15-tetramethyl- Related Literature
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Bartosz Bieszczad,Declan G. Gilheany Org. Biomol. Chem. 2017 15 6483
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Stephanie Ehlers,Stefan Schulz Nat. Prod. Rep. 2023 40 794
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Joseph J. Magadula,Paul Erasto Nat. Prod. Rep. 2009 26 1535
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4. Carotenoids and related compounds. Part XIV. Stereochemistry and synthesis of geraniol, nerol, farnesol, and phytolJ. W. K. Burrell,R. F. Garwood,L. M. Jackman,E. Oskay,B. C. L. Weedon J. Chem. Soc. C 1966 2144
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Fenglin Zhang,Wei Ai,Xiaoquan Hu,Yingying Meng,Cong Yuan,Han Su,Lina Wang,Xiaotong Zhu,Ping Gao,Gang Shu,Qingyan Jiang,Songbo Wang Food Funct. 2018 9 2043
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