Cas no 187742-14-9 (Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]-)
![Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]- structure](https://ossimg.kuujia.com/scimg/188000/187742-14-9x500.png)
187742-14-9 structure
Product Name:Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]-
CAS No:187742-14-9
MF:C9H16O2
MW:156.222143173218
CID:115111
PubChem ID:15981538
Update Time:2025-04-18
Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]-
- Ethanone, 1-[(2S,3R)-3-pentyloxiranyl]- (9CI)
- 187742-14-9
- 1-[(2S,3R)-3-Pentyloxiran-2-yl]ethanone
-
- Inchi： 1S/C9H16O2/c1-3-4-5-6-8-9(11-8)7(2)10/h8-9H,3-6H2,1-2H3/t8-,9-/m1/s1
- InChI Key： QSBATKPBRAWDHQ-RKDXNWHRSA-N
- SMILES： O1[C@H](C(C)=O)[C@H]1CCCCC
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 143
- 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: 2
- Topological Polar Surface Area: 29.6?2
Experimental Properties
- PSA: 29.6
Ethanone,1-[(2S,3R)-3-pentyl-2-oxiranyl]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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