Cas no 84731-77-1 (4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl-)
84731-77-1 structure
Product Name:4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl-
CAS No:84731-77-1
MF:C15H24O
MW:220.350464820862
CID:727332
PubChem ID:44150268
Update Time:2025-04-19
4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl-
- EINECS 283-837-6
- octahydro-3,6,8,8-tetramethyl-4H-3a,7-methanoazulen-4-one
- NS00059661
- DTXSID501005038
- Cedran-10-one
- 84731-77-1
-
- Inchi: 1S/C15H24O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h9-12H,5-8H2,1-4H3
- InChI Key: PPWWRCLYJYCTBW-UHFFFAOYSA-N
- SMILES: O=C1CC(C)C2CC31C(C)CCC3C2(C)C
Computed Properties
- Exact Mass: 220.183
- Monoisotopic Mass: 220.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 343
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1
- Boiling Point: 291.4°C at 760 mmHg
- Flash Point: 122.5°C
- Refractive Index: 1.506
4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl- Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
84731-77-1 (4H-3a,7-Methanoazulen-4-one,octahydro-3,6,8,8-tetramethyl-) Related Products
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