Cas no 2387-68-0 (6,10-Dodecadien-1-yn-3-ol,3,7,11-trimethyl-)
2387-68-0 structure
Product Name:6,10-Dodecadien-1-yn-3-ol,3,7,11-trimethyl-
CAS No:2387-68-0
MF:C15H24O
MW:220.350464820862
CID:274588
PubChem ID:5365823
Update Time:2025-04-19
6,10-Dodecadien-1-yn-3-ol,3,7,11-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6,10-Dodecadien-1-yn-3-ol,3,7,11-trimethyl-
- (6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
- 3,7,11-Trimethyl-6,10-dodecadien-1-yn-3-ol
- 3,7,11-Trimethyldodeca-6,10-dien-1-yn-3-ol
- Deca-4,8-dienol, 1-ethynyl-1,5,9-trimethyl-
- 2387-68-0
- EINECS 219-215-8
- (6E)-3,7,11-Trimethyl-6,10-dodecadien-1-yn-3-ol #
- DTXSID001033373
- 54325-12-1
- SCHEMBL1305951
- Dehydronerolidol
- (E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
-
- Inchi： 1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,9,11,16H,7-8,10,12H2,2-5H3/b14-11+
- InChI Key： ZNVPGYAGXVEAFP-SDNWHVSQSA-N
- SMILES： OC(C#C)(C)CC/C=C(\C)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 310
- 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: 20.2
- XLogP3: 4.1
Experimental Properties
- Density: 0.902
- Boiling Point: 318.5°Cat760mmHg
- Flash Point: 289.8°C
- Refractive Index: 1.49
- PSA: 20.23
6,10-Dodecadien-1-yn-3-ol,3,7,11-trimethyl- Related Literature
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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