Cas no 62994-73-4 (Oxepane, 2-ethyl-2,5-dimethyl-)
62994-73-4 structure
Product Name:Oxepane, 2-ethyl-2,5-dimethyl-
CAS No:62994-73-4
MF:C10H20O
MW:156.265203475952
CID:427829
PubChem ID:71381580
Update Time:2025-04-19
Oxepane, 2-ethyl-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxepane, 2-ethyl-2,5-dimethyl-
- 2-ethyl-2,5-dimethyloxepane
- DTXSID60804021
- 62994-73-4
-
- Inchi： 1S/C10H20O/c1-4-10(3)7-5-9(2)6-8-11-10/h9H,4-8H2,1-3H3
- InChI Key： MAZQEZCGBLZOJI-UHFFFAOYSA-N
- SMILES： O1CCC(C)CCC1(C)CC
Computed Properties
- Exact Mass: 156.1515
- Monoisotopic Mass: 156.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 122
- 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: 2.9
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Oxepane, 2-ethyl-2,5-dimethyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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