Cas no 918819-63-3 (1,3-Dioxolan-2-one, 4-butyl-5-methyl-, (4R,5S)-)
918819-63-3 structure
Product Name:1,3-Dioxolan-2-one, 4-butyl-5-methyl-, (4R,5S)-
CAS No:918819-63-3
MF:C8H14O3
MW:158.194962978363
CID:770270
PubChem ID:50901074
Update Time:2025-04-19
1,3-Dioxolan-2-one, 4-butyl-5-methyl-, (4R,5S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolan-2-one, 4-butyl-5-methyl-, (4R,5S)-
- (4R,5S)-4-butyl-5-methyl-1,3-dioxolan-2-one
- 918819-63-3
- DTXSID90678959
-
- Inchi： 1S/C8H14O3/c1-3-4-5-7-6(2)10-8(9)11-7/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
- InChI Key： GAUORQCLQBRUEA-NKWVEPMBSA-N
- SMILES： O1C(=O)O[C@@H](C)[C@H]1CCCC
Computed Properties
- Exact Mass: 158.094294304g/mol
- Monoisotopic Mass: 158.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 144
- 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: 2.6
- Topological Polar Surface Area: 35.5?2
1,3-Dioxolan-2-one, 4-butyl-5-methyl-, (4R,5S)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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