Cas no 52999-12-9 (1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)-)
52999-12-9 structure
Product Name:1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)-
CAS No:52999-12-9
MF:C28H50O2
MW:418.695409297943
CID:358283
PubChem ID:71365414
Update Time:2025-04-19
1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)-
- 4-(11-methylhenicosan-11-yl)benzene-1,2-diol
- 52999-12-9
- DTXSID60788832
-
- Inchi： 1S/C28H50O2/c1-4-6-8-10-12-14-16-18-22-28(3,25-20-21-26(29)27(30)24-25)23-19-17-15-13-11-9-7-5-2/h20-21,24,29-30H,4-19,22-23H2,1-3H3
- InChI Key： YKJFMBACFVTBCC-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(=C1)C(C)(CCCCCCCCCC)CCCCCCCCCC)O
Computed Properties
- Exact Mass: 418.3813
- Monoisotopic Mass: 418.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 19
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
52999-12-9 (1,2-Benzenediol, 4-(1-decyl-1-methylundecyl)-) Related Products
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