Cas no 89435-14-3 (1,3-Dioxan-2-one, 5-pentyl-)
1,3-Dioxan-2-one, 5-pentyl- structure
Product Name:1,3-Dioxan-2-one, 5-pentyl-
CAS No:89435-14-3
MF:C9H16O3
MW:172.221543312073
CID:600935
PubChem ID:70272597
Update Time:2025-04-19
1,3-Dioxan-2-one, 5-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxan-2-one, 5-pentyl-
- 5-pentyl-1,3-dioxan-2-one
- DTXSID80741782
- SCHEMBL8089593
- 89435-14-3
-
- Inchi： 1S/C9H16O3/c1-2-3-4-5-8-6-11-9(10)12-7-8/h8H,2-7H2,1H3
- InChI Key： NXXXYHYLNDYQQO-UHFFFAOYSA-N
- SMILES： O1C(=O)OCC(C1)CCCCC
Computed Properties
- Exact Mass: 172.109944368g/mol
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 135
- 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: 3.1
- Topological Polar Surface Area: 35.5?2
1,3-Dioxan-2-one, 5-pentyl- Related Literature
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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