Cas no 855386-66-2 (8-Oxabicyclo[5.1.0]octane,4-methyl-)
![8-Oxabicyclo[5.1.0]octane,4-methyl- structure](https://ossimg.kuujia.com/scimg/855500/855386-66-2x500.png)
855386-66-2 structure
Product Name:8-Oxabicyclo[5.1.0]octane,4-methyl-
CAS No:855386-66-2
MF:C8H14O
MW:126.196162700653
CID:717390
PubChem ID:45120447
Update Time:2024-03-01
8-Oxabicyclo[5.1.0]octane,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 8-Oxabicyclo[5.1.0]octane,4-methyl-
- 8-Oxabicyclo[5.1.0]octane, 4-methyl-
-
- Inchi： 1S/C8H14O/c1-6-2-4-7-8(9-7)5-3-6/h6-8H,2-5H2,1H3
- InChI Key： IHNDFQVJZGRJRB-UHFFFAOYSA-N
- SMILES： C12C(O1)CCC(C)CC2
Computed Properties
- Exact Mass: 126.104465066g/mol
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 99.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- Density: 0.941±0.06 g/cm3(Predicted)
- Boiling Point: 160.6±8.0 °C(Predicted)
8-Oxabicyclo[5.1.0]octane,4-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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