Cas no 112065-19-7 (docosane-11,12-diol)
docosane-11,12-diol structure
Product Name:docosane-11,12-diol
CAS No:112065-19-7
MF:C22H46O2
MW:342.599447727203
CID:2607954
PubChem ID:13158344
Update Time:2025-04-21
docosane-11,12-diol Chemical and Physical Properties
Names and Identifiers
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- docosane-11,12-diol
- 112065-19-7
- DTXCID60474001
- DTXSID70523195
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- Inchi： 1S/C22H46O2/c1-3-5-7-9-11-13-15-17-19-21(23)22(24)20-18-16-14-12-10-8-6-4-2/h21-24H,3-20H2,1-2H3
- InChI Key： BSVWZAJMWPVDNX-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCC)C(CCCCCCCCCC)O
Computed Properties
- Exact Mass: 342.349780706Da
- Monoisotopic Mass: 342.349780706Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 40.5?2
docosane-11,12-diol Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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