Cas no 78776-45-1 (2-Cyclohexene-1,4-diol, diacetate, cis-)
78776-45-1 structure
Product Name:2-Cyclohexene-1,4-diol, diacetate, cis-
CAS No:78776-45-1
MF:C10H18O6
MW:234.246324062347
CID:533863
PubChem ID:71402990
Update Time:2025-04-19
2-Cyclohexene-1,4-diol, diacetate, cis- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexene-1,4-diol, diacetate, cis-
- acetic acid,(1S,4R)-cyclohex-2-ene-1,4-diol
- cis-2-cyclohexenyl-1,4-diacetate
- Acetic acid--(1R,4S)-cyclohex-2-ene-1,4-diol (2/1)
- acetic acid;(1R,4S)-cyclohex-2-ene-1,4-diol
- DTXSID20823930
- 78776-45-1
-
- Inchi： 1S/C6H10O2.2C2H4O2/c7-5-1-2-6(8)4-3-5;2*1-2(3)4/h1-2,5-8H,3-4H2;2*1H3,(H,3,4)/t5-,6+;;
- InChI Key： IFTUVSFGWAKOIZ-RUTFAPCESA-N
- SMILES： O[C@@H]1C=C[C@@H](CC1)O.OC(C)=O.OC(C)=O
Computed Properties
- Exact Mass: 234.11033829g/mol
- Monoisotopic Mass: 234.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 118
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115?2
2-Cyclohexene-1,4-diol, diacetate, cis- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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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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