Cas no 27309-80-4 (Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester)
![Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester structure](https://ossimg.kuujia.com/scimg/27500/27309-80-4x500.png)
27309-80-4 structure
Product Name:Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
CAS No:27309-80-4
MF:C25H44O4
MW:408.614468574524
CID:237755
PubChem ID:21422034
Update Time:2025-04-19
Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester
- 7-oxabicyclo[4.1.0]heptan-4-ylmethyl 8-(3-octyloxiran-2-yl)octanoate
- DTXSID00613578
- 27309-80-4
- (7-Oxabicyclo[4.1.0]heptan-3-yl)methyl 8-(3-octyloxiran-2-yl)octanoate
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- Inchi： 1S/C25H44O4/c1-2-3-4-5-7-10-13-21-22(28-21)14-11-8-6-9-12-15-25(26)27-19-20-16-17-23-24(18-20)29-23/h20-24H,2-19H2,1H3
- InChI Key： HOTUTCSLMTVEQE-UHFFFAOYSA-N
- SMILES： O1C2CCC(COC(CCCCCCCC3C(CCCCCCCC)O3)=O)CC12
Computed Properties
- Exact Mass: 408.32395988g/mol
- Monoisotopic Mass: 408.32395988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 18
- Complexity: 466
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.3
- Topological Polar Surface Area: 51.4?2
Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
27309-80-4 (Oxiraneoctanoic acid, 3-octyl-, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester) Related Products
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