Cas no 68227-31-6 (3-methyl-6-methyleneoctan-3-ol)
68227-31-6 structure
Product Name:3-methyl-6-methyleneoctan-3-ol
CAS No:68227-31-6
MF:C10H20O
MW:156.265203475952
CID:969605
PubChem ID:109231
Update Time:2025-04-19
3-methyl-6-methyleneoctan-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-6-methyleneoctan-3-ol
- 3-methyl-6-methylideneoctan-3-ol
- 3-Methyl-6-metyleneoctan-3-ol
- 3-Octanol, 3-methyl-6-methylene-
- NS00059425
- EINECS 269-345-4
- DTXSID10887288
- AKOS030256003
- 68227-31-6
- CZBZCHPXBPHOSA-UHFFFAOYSA-N
-
- Inchi： 1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h11H,3,5-8H2,1-2,4H3
- InChI Key： CZBZCHPXBPHOSA-UHFFFAOYSA-N
- SMILES： OC(C)(CC)CCC(=C)CC
Computed Properties
- Exact Mass: 156.1515
- Monoisotopic Mass: 156.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
3-methyl-6-methyleneoctan-3-ol Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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