Cas no 101416-44-8 (2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-)
![2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)- structure](https://ossimg.kuujia.com/scimg/101500/101416-44-8x500.png)
101416-44-8 structure
Product Name:2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-
CAS No:101416-44-8
MF:C20H34O3
MW:322.482918348545
CID:140086
Update Time:2024-03-01
2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butene-1,4-diol,2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-,(2Z)-
- 2-Butene-1,4-diol,2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-
- (+)-Bincatriol
- 2-Butene-1,4-diol,2-[2-[1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-,[1S-[1a(Z),2b,4ab,8aa]]-
- Bincatriol
- 2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)-
-
- Inchi： 1S/C20H34O3/c1-15-7-10-20(3)17(14-23)5-4-6-18(20)19(15,2)11-8-16(13-22)9-12-21/h5,9,15,18,21-23H,4,6-8,10-14H2,1-3H3/b16-9-/t15-,18-,19+,20+/m1/s1
- InChI Key： FEWVAJCWRYTWOP-FGGSDQKMSA-N
- SMILES： C(O)/C(/CC[C@]1(C)[C@]2([H])[C@](C)(C(CO)=CCC2)CC[C@H]1C)=C\CO
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- XLogP3: 3.721
2-Butene-1,4-diol, 2-[2-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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