Cas no 23007-34-3 (7-Octen-4-one, 6-hydroxy-2,6-dimethyl-, (+)-)
23007-34-3 structure
Product Name:7-Octen-4-one, 6-hydroxy-2,6-dimethyl-, (+)-
CAS No:23007-34-3
MF:C10H18O2
MW:170.248723506927
CID:277801
PubChem ID:522417
Update Time:2024-03-01
7-Octen-4-one, 6-hydroxy-2,6-dimethyl-, (+)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Octen-4-one,6-hydroxy-2,6-dimethyl-, (+)-
- (+)-Tagetonol
- Tagetonol
- (+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one
- 23007-34-3
- CHEBI:180213
- SCHEMBL5803753
- 71547-63-2
- DTXSID701274605
- DTXSID50334948
- 6-hydroxy-2,6-dimethyloct-7-en-4-one
- HPKAJXIDKBSLHJ-UHFFFAOYSA-N
- 7-Octen-4-one, 6-hydroxy-2,6-dimethyl-, (+)-
-
- Inchi： 1S/C10H18O2/c1-5-10(4,12)7-9(11)6-8(2)3/h5,8,12H,1,6-7H2,2-4H3
- InChI Key： HPKAJXIDKBSLHJ-UHFFFAOYSA-N
- SMILES： OC(C=C)(C)CC(CC(C)C)=O
Computed Properties
- Exact Mass: 170.130679813g/mol
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 173
- 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: 1.3
- Topological Polar Surface Area: 37.3?2
7-Octen-4-one, 6-hydroxy-2,6-dimethyl-, (+)- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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