Cas no 57073-94-6 (2-methyl-6-methylideneocta-1,7-dien-3-yl hydroperoxide)
57073-94-6 structure
Product Name:2-methyl-6-methylideneocta-1,7-dien-3-yl hydroperoxide
CAS No:57073-94-6
MF:C10H16O2
MW:168.232843399048
CID:1603681
PubChem ID:180572
Update Time:2025-04-21
2-methyl-6-methylideneocta-1,7-dien-3-yl hydroperoxide Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-6-methylideneocta-1,7-dien-3-yl hydroperoxide
- 3-hydroperoxy-2-methyl-6-methylideneocta-1,7-diene
- Hydroperoxide, 4-methylene-1-(1-methylethenyl)-5-hexenyl
- 57073-94-6
- 2-Methyl-6-methylideneocta-1,7-diene-3-peroxol
- DTXSID50972546
-
- Inchi： 1S/C10H16O2/c1-5-9(4)6-7-10(12-11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3
- InChI Key： KNWBPQQBYZTSAS-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)CCC(=C)C=C)O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 182
- 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: 3.4
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
2-methyl-6-methylideneocta-1,7-dien-3-yl hydroperoxide Related Literature
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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