Cas no 72195-82-5 (Oxirane, 2,3-bis(5-methylhexyl)-, cis-)
72195-82-5 structure
Product Name:Oxirane, 2,3-bis(5-methylhexyl)-, cis-
CAS No:72195-82-5
MF:C16H32O
MW:240.42468547821
CID:544365
PubChem ID:71404471
Update Time:2025-04-19
Oxirane, 2,3-bis(5-methylhexyl)-, cis- Chemical and Physical Properties
Names and Identifiers
-
- Oxirane, 2,3-bis(5-methylhexyl)-, cis-
- (2S,3R)-2,3-bis(5-methylhexyl)oxirane
- (2R,3S)-2,3-Bis(5-methylhexyl)oxirane
- 72195-82-5
- DTXSID20825313
-
- Inchi： 1S/C16H32O/c1-13(2)9-5-7-11-15-16(17-15)12-8-6-10-14(3)4/h13-16H,5-12H2,1-4H3/t15-,16+
- InChI Key： IEFWJLCQGNDOMJ-IYBDPMFKSA-N
- SMILES： O1[C@@H](CCCCC(C)C)[C@H]1CCCCC(C)C
Computed Properties
- Exact Mass: 240.24546
- Monoisotopic Mass: 240.245315640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
Oxirane, 2,3-bis(5-methylhexyl)-, cis- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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