Cas no 62813-72-3 (Hexane, 3-ethyl-3-methoxy-)
Hexane, 3-ethyl-3-methoxy- structure
Product Name:Hexane, 3-ethyl-3-methoxy-
CAS No:62813-72-3
MF:C9H20O
MW:144.254503250122
CID:430576
PubChem ID:12714306
Update Time:2025-04-19
Hexane, 3-ethyl-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Hexane, 3-ethyl-3-methoxy-
- 3-ethyl-3-methoxyhexane
- 62813-72-3
- DTXSID20507748
-
- Inchi： 1S/C9H20O/c1-5-8-9(6-2,7-3)10-4/h5-8H2,1-4H3
- InChI Key： UWNOCBPPXRATOP-UHFFFAOYSA-N
- SMILES： O(C)C(CC)(CC)CCC
Computed Properties
- Exact Mass: 144.1515
- Monoisotopic Mass: 144.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 74.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Hexane, 3-ethyl-3-methoxy- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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