Cas no 109359-36-6 (1,8-Octanediol,2-methyl-)
1,8-Octanediol,2-methyl- structure
Product Name:1,8-Octanediol,2-methyl-
CAS No:109359-36-6
MF:C9H20O2
MW:160.253903388977
CID:128396
PubChem ID:10997344
Update Time:2025-04-18
1,8-Octanediol,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,8-Octanediol,2-methyl-
- 2-Methyl-1,8-octanediol
- 2-methyloctane-1,8-diol
- ACMC-1BOF2
- AG-D-26238
- CTK4A6469
- 1,8-Dihydroxy-2-methyloctane
- NS00128720
- DTXSID60451190
- 109359-36-6
- SCHEMBL152197
-
- Inchi： 1S/C9H20O2/c1-9(8-11)6-4-2-3-5-7-10/h9-11H,2-8H2,1H3
- InChI Key： SDQROPCSKIYYAV-UHFFFAOYSA-N
- SMILES： OCC(C)CCCCCCO
Computed Properties
- Exact Mass: 160.1464
- Monoisotopic Mass: 160.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 7
- Complexity: 74
- 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: 1.8
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,8-Octanediol,2-methyl- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
109359-36-6 (1,8-Octanediol,2-methyl-) Related Products
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- 4415-82-1(cyclobutylmethanol)
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- 100-49-2(Cyclohexanemethanol)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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