Cas no 7086-51-3 (14-Methylheptadecanoic acid; (ξ)-form)
7086-51-3 structure
Product Name:14-Methylheptadecanoic acid; (ξ)-form
CAS No:7086-51-3
MF:C18H36O2
MW:284.477246284485
CID:2841911
PubChem ID:23062203
Update Time:2025-04-21
14-Methylheptadecanoic acid; (ξ)-form Chemical and Physical Properties
Names and Identifiers
-
- UNII-5Q6XZ739JZ
- Heptadecanoic acid, 14-methyl-
- 7086-51-3
- Q27262725
- 5Q6XZ739JZ
- 14-methyl-heptadecanoic acid
- 14-Methylheptadecanoic acid
- SCHEMBL2990102
- CHEBI:196222
- LMFA01020292
- 14-Methylheptadecanoic acid; (ξ)-form
-
- Inchi： 1S/C18H36O2/c1-3-14-17(2)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
- InChI Key： FSFWPQJOSZVBMA-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCC(C)CCC)=O
Computed Properties
- Exact Mass: 284.271530387g/mol
- Monoisotopic Mass: 284.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 214
- 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: 7.2
- Topological Polar Surface Area: 37.3?2
14-Methylheptadecanoic acid; (ξ)-form Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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