Cas no 148718-35-8 (Octadecanoic acid,hydroxy-, octyl ester)
148718-35-8 structure
Product Name:Octadecanoic acid,hydroxy-, octyl ester
CAS No:148718-35-8
MF:C26H52O3
MW:412.689289093018
CID:100423
PubChem ID:21960548
Update Time:2025-04-18
Octadecanoic acid,hydroxy-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,hydroxy-, octyl ester
- octyl 2-hydroxyoctadecanoate
- Octyl hydroxystearate
- DTXSID50620833
- SCHEMBL151961
- 148718-35-8
-
- Inchi： 1S/C26H52O3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25(27)26(28)29-24-22-20-10-8-6-4-2/h25,27H,3-24H2,1-2H3
- InChI Key： XIBVSCQMDQVPNP-UHFFFAOYSA-N
- SMILES： O(CCCCCCCC)C(C(CCCCCCCCCCCCCCCC)O)=O
Computed Properties
- Exact Mass: 412.39186
- Monoisotopic Mass: 412.39164552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 29
- Rotatable Bond Count: 24
- Complexity: 330
- 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: 11.2
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Octadecanoic acid,hydroxy-, octyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
148718-35-8 (Octadecanoic acid,hydroxy-, octyl ester) Related Products
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- 691-84-9(Diethyl L-(-)-Malate)
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