Cas no 61716-13-0 (5-Tridecanone, 9-hydroxy-)
5-Tridecanone, 9-hydroxy- structure
Product Name:5-Tridecanone, 9-hydroxy-
CAS No:61716-13-0
MF:C13H26O2
MW:214.344344615936
CID:468716
PubChem ID:71392964
Update Time:2025-04-19
5-Tridecanone, 9-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Tridecanone, 9-hydroxy-
- 9-hydroxytridecan-5-one
- DTXSID70814752
- 61716-13-0
-
- Inchi： 1S/C13H26O2/c1-3-5-8-12(14)10-7-11-13(15)9-6-4-2/h12,14H,3-11H2,1-2H3
- InChI Key： HKYHJHJOSNWTRX-UHFFFAOYSA-N
- SMILES： OC(CCCC)CCCC(CCCC)=O
Computed Properties
- Exact Mass: 214.19338
- Monoisotopic Mass: 214.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 155
- 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: 3.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
5-Tridecanone, 9-hydroxy- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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