Cas no 56915-02-7 (2-Buten-1-one,1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-)
56915-02-7 structure
Product Name:2-Buten-1-one,1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:56915-02-7
MF:C13H20O2
MW:208.296704292297
CID:376914
PubChem ID:92564
Update Time:2025-04-19
2-Buten-1-one,1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Buten-1-one,1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
- 1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
- NS00054380
- 3-Hydroxydamascone
- 56915-02-7
- DTXSID301315978
-
- Inchi： 1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3
- InChI Key： UPRXEFYRIACHQZ-UHFFFAOYSA-N
- SMILES： OC1CC(C)=C(C(C=CC)=O)C(C)(C)C1
Computed Properties
- Exact Mass: 208.1464
- Monoisotopic Mass: 208.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 321
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Buten-1-one,1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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