Cas no 26269-42-1 (Octanoic acid, 2-oxo-3,3-dipentyl-)
26269-42-1 structure
Product Name:Octanoic acid, 2-oxo-3,3-dipentyl-
CAS No:26269-42-1
MF:C18H34O3
MW:298.46076631546
CID:1426271
PubChem ID:71357738
Update Time:2025-04-20
Octanoic acid, 2-oxo-3,3-dipentyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 2-oxo-3,3-dipentyl-
- 2-oxo-3,3-dipentyloctanoic acid
- 26269-42-1
- DTXSID50781791
-
- Inchi： 1S/C18H34O3/c1-4-7-10-13-18(14-11-8-5-2,15-12-9-6-3)16(19)17(20)21/h4-15H2,1-3H3,(H,20,21)
- InChI Key： OTPVDEXGSPTYEA-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)C(CCCCC)(CCCCC)CCCCC
Computed Properties
- Exact Mass: 298.25092
- Monoisotopic Mass: 298.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 270
- 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
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Octanoic acid, 2-oxo-3,3-dipentyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
26269-42-1 (Octanoic acid, 2-oxo-3,3-dipentyl-) Related Products
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