Cas no 129673-85-4 (8-Oxo-1(10),4,7(11)-germacratrien-13-al)
129673-85-4 structure
Product Name:8-Oxo-1(10),4,7(11)-germacratrien-13-al
CAS No:129673-85-4
MF:C15H20O2
MW:232.318104743958
CID:2044536
PubChem ID:14633002
Update Time:2025-04-21
8-Oxo-1(10),4,7(11)-germacratrien-13-al Chemical and Physical Properties
Names and Identifiers
-
- 8-Oxo-1(10),4,7(11)-germacratrien-13-al
- germacrone-13-al
- (E,E,E)-2-(4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene)-propanal
- (2E)-2-[(3E,7E)-4,8-dimethyl-10-oxocyclodeca-3,7-dien-1-ylidene]propanal
- CHEBI:180837
- 129673-85-4
- DTXSID201150252
- (2E)-2-[(3E,7E)-4,8-Dimethyl-10-oxo-3,7-cyclodecadien-1-ylidene]propanal
-
- Inchi： 1S/C15H20O2/c1-11-5-4-6-12(2)9-15(17)14(8-7-11)13(3)10-16/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+,14-13+
- InChI Key： QYFIJPMUVNMVMC-UPXYLJBOSA-N
- SMILES： O=C1/C(=C(/C=O)\C)/CC=C(C)CCC=C(C)C1 |c:8,13|
Computed Properties
- Exact Mass: 232.146329876g/mol
- Monoisotopic Mass: 232.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 34.1?2
8-Oxo-1(10),4,7(11)-germacratrien-13-al Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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