Cas no 101339-92-8 (2,5,8-Undecatrien-1-ol, (E,E,E)-)
101339-92-8 structure
Product Name:2,5,8-Undecatrien-1-ol, (E,E,E)-
CAS No:101339-92-8
MF:C11H18O
MW:166.260023593903
CID:1131676
Update Time:2024-07-27
2,5,8-Undecatrien-1-ol, (E,E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5,8-Undecatrien-1-ol, (E,E,E)-
- undeca-2,5,8-trien-1-ol
- 2,5,8-Undecatrien-1-ol, (E,E,E)- (9CI)
-
- Inchi： 1S/C11H18O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3/b4-3+,7-6+,10-9+
- InChI Key： GQHVUIIYRRZKCN-IUQGRGSQSA-N
- SMILES： C(O)/C=C/C/C=C/C/C=C/CC
Computed Properties
- Exact Mass: 166.135765g/mol
- Monoisotopic Mass: 166.135765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 3
- Molecular Weight: 166.26g/mol
- XLogP3: 2.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.882±0.06 g/cm3(Predicted)
- Boiling Point: 258.7±19.0 °C(Predicted)
- pka: 14.33±0.10(Predicted)
2,5,8-Undecatrien-1-ol, (E,E,E)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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