Cas no 171193-54-7 (3-Pentadecanol, 3-(2,2-diethoxyethyl)-1,1-diethoxy-)
171193-54-7 structure
Product Name:3-Pentadecanol, 3-(2,2-diethoxyethyl)-1,1-diethoxy-
CAS No:171193-54-7
MF:C25H52O5
MW:432.677389144897
CID:1353504
PubChem ID:14943068
Update Time:2025-04-20
3-Pentadecanol, 3-(2,2-diethoxyethyl)-1,1-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentadecanol, 3-(2,2-diethoxyethyl)-1,1-diethoxy-
- 3-(2,2-diethoxyethyl)-1,1-diethoxypentadecan-3-ol
- 1,1,5,5-tetraethoxy-3-dodecyl-3-pentanol
- DTXSID30565819
- 171193-54-7
-
- Inchi： 1S/C25H52O5/c1-6-11-12-13-14-15-16-17-18-19-20-25(26,21-23(27-7-2)28-8-3)22-24(29-9-4)30-10-5/h23-24,26H,6-22H2,1-5H3
- InChI Key： VZTXVPCCAVQISR-UHFFFAOYSA-N
- SMILES： OC(CC(OCC)OCC)(CC(OCC)OCC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 432.38166
- Monoisotopic Mass: 432.38147475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 23
- Complexity: 320
- 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: 7.5
- Topological Polar Surface Area: 57.2?2
Experimental Properties
- PSA: 57.15
3-Pentadecanol, 3-(2,2-diethoxyethyl)-1,1-diethoxy- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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