Cas no 113824-38-7 (6-ethylhexadecanedioic acid)
6-ethylhexadecanedioic acid structure
Product Name:6-ethylhexadecanedioic acid
CAS No:113824-38-7
MF:C18H34O4
MW:314.460166454315
CID:2611712
PubChem ID:13751884
Update Time:2025-04-21
6-ethylhexadecanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-ethylhexadecanedioic acid
- DTXSID50548422
- 113824-38-7
-
- Inchi： 1S/C18H34O4/c1-2-16(13-10-11-15-18(21)22)12-8-6-4-3-5-7-9-14-17(19)20/h16H,2-15H2,1H3,(H,19,20)(H,21,22)
- InChI Key： HJVJVAPDVBIKSP-UHFFFAOYSA-N
- SMILES： OC(CCCCC(CC)CCCCCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 314.24570956Da
- Monoisotopic Mass: 314.24570956Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.1
- Topological Polar Surface Area: 74.6?2
6-ethylhexadecanedioic acid Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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