Cas no 1891-67-4 (2,6-Octadienal, 3,6,7-trimethyl-)
1891-67-4 structure
Product Name:2,6-Octadienal, 3,6,7-trimethyl-
CAS No:1891-67-4
MF:C11H18O
MW:166.260023593903
CID:1384212
PubChem ID:14917671
Update Time:2025-04-20
2,6-Octadienal, 3,6,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienal, 3,6,7-trimethyl-
- 3,6,7-Trimethyl-2,6-octadienal
- 3,6,7-trimethylocta-2,6-dienal
- 1891-67-4
- SCHEMBL236853
- (2E)-3,6,7-trimethylocta-2,6-dienal
- CIJXIVUHYJAYCO-JXMROGBWSA-N
-
- Inchi： 1S/C11H18O/c1-9(2)11(4)6-5-10(3)7-8-12/h7-8H,5-6H2,1-4H3/b10-7+
- InChI Key： CIJXIVUHYJAYCO-JXMROGBWSA-N
- SMILES： O=C/C=C(\C)/CC/C(/C)=C(\C)/C
Computed Properties
- Exact Mass: 238.19338
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 37.3
2,6-Octadienal, 3,6,7-trimethyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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