Cas no 82947-28-2 (1,3-Dioxolan-2-one, 4-hexyl-)
1,3-Dioxolan-2-one, 4-hexyl- structure
Product Name:1,3-Dioxolan-2-one, 4-hexyl-
CAS No:82947-28-2
MF:C9H16O3
MW:172.221543312073
CID:679896
PubChem ID:11084340
Update Time:2025-04-19
1,3-Dioxolan-2-one, 4-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolan-2-one, 4-hexyl-
- 4-hexyl-1,3-dioxolan-2-one
- 82947-28-2
- hexylethylenecarbonate
- DTXSID80454587
- KVOZCZVWECMVDU-UHFFFAOYSA-N
- SCHEMBL5598322
-
- Inchi： 1S/C9H16O3/c1-2-3-4-5-6-8-7-11-9(10)12-8/h8H,2-7H2,1H3
- InChI Key： KVOZCZVWECMVDU-UHFFFAOYSA-N
- SMILES： O1C(=O)OCC1CCCCCC
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: 5
- Complexity: 145
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 35.5?2
1,3-Dioxolan-2-one, 4-hexyl- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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