Cas no 219576-39-3 (2-Butene-1,4-diol, 1,4-dicyclohexyl-, (1S,2E,4S)-)
219576-39-3 structure
Product Name:2-Butene-1,4-diol, 1,4-dicyclohexyl-, (1S,2E,4S)-
CAS No:219576-39-3
MF:C16H28O2
MW:252.392325401306
CID:1405350
Update Time:2024-08-16
2-Butene-1,4-diol, 1,4-dicyclohexyl-, (1S,2E,4S)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butene-1,4-diol, 1,4-dicyclohexyl-, (1S,2E,4S)-
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- Inchi： 1S/C16H28O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h11-18H,1-10H2/b12-11+/t15-,16-/m1/s1
- InChI Key： YKRVAEYGQWTWMZ-NFGWICIOSA-N
- SMILES： [C@@H](C1CCCCC1)(O)/C=C/[C@H](C1CCCCC1)O
Computed Properties
- Exact Mass: 252.20904
Experimental Properties
- Density: 1.033±0.06 g/cm3(Predicted)
- Boiling Point: 398.4±22.0 °C(Predicted)
- PSA: 40.46
- pka: 13.92±0.20(Predicted)
2-Butene-1,4-diol, 1,4-dicyclohexyl-, (1S,2E,4S)- Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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