Cas no 40225-75-0 (6-Methyloctan-3-ol)
6-Methyloctan-3-ol structure
Product Name:6-Methyloctan-3-ol
CAS No:40225-75-0
MF:C9H20O
MW:144.254503250122
CID:2825975
PubChem ID:14158006
Update Time:2025-04-21
6-Methyloctan-3-ol Chemical and Physical Properties
Names and Identifiers
-
- AKOS011383909
- DTXCID10507550
- SCHEMBL3665922
- 6-Methyloctan-3-ol
- LMFA05000494
- 6-METHYL-3-OCTANOL
- 40225-75-0
- CHEBI:178397
- DTXSID90556768
- MFYHIHFYDULUQP-UHFFFAOYSA-N
-
- Inchi： 1S/C9H20O/c1-4-8(3)6-7-9(10)5-2/h8-10H,4-7H2,1-3H3
- InChI Key： MFYHIHFYDULUQP-UHFFFAOYSA-N
- SMILES： OC(CC)CCC(C)CC
Computed Properties
- Exact Mass: 144.151415257Da
- Monoisotopic Mass: 144.151415257Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 71.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 20.2?2
6-Methyloctan-3-ol Related Literature
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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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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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