Cas no 16695-42-4 (2H-Pyran, 2-butyl-3-chlorotetrahydro-, trans-)
16695-42-4 structure
Product Name:2H-Pyran, 2-butyl-3-chlorotetrahydro-, trans-
CAS No:16695-42-4
MF:C9H17ClO
MW:176.683682203293
CID:1351886
PubChem ID:71353721
Update Time:2025-04-20
2H-Pyran, 2-butyl-3-chlorotetrahydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran, 2-butyl-3-chlorotetrahydro-, trans-
- (2S,3R)-2-butyl-3-chlorooxane
- 16695-42-4
- DTXSID40778438
-
- Inchi： 1S/C9H17ClO/c1-2-3-6-9-8(10)5-4-7-11-9/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
- InChI Key： RRGKCECJHAYNGZ-BDAKNGLRSA-N
- SMILES： Cl[C@@H]1CCCO[C@H]1CCCC
Computed Properties
- Exact Mass: 176.0967929g/mol
- Monoisotopic Mass: 176.0967929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 106
- 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: 3.1
- Topological Polar Surface Area: 9.2?2
2H-Pyran, 2-butyl-3-chlorotetrahydro-, trans- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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