Cas no 62151-55-7 (1,5-Cyclopentadecanedione, 2-hydroxy-4-methyl-)
62151-55-7 structure
Product Name:1,5-Cyclopentadecanedione, 2-hydroxy-4-methyl-
CAS No:62151-55-7
MF:C16H28O3
MW:268.391725540161
CID:456220
PubChem ID:71389363
Update Time:2025-04-19
1,5-Cyclopentadecanedione, 2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Cyclopentadecanedione, 2-hydroxy-4-methyl-
- 2-hydroxy-4-methylcyclopentadecane-1,5-dione
- DTXSID80811378
- 62151-55-7
-
- Inchi： 1S/C16H28O3/c1-13-12-16(19)15(18)11-9-7-5-3-2-4-6-8-10-14(13)17/h13,16,19H,2-12H2,1H3
- InChI Key： XSUXTLTVKGRATL-UHFFFAOYSA-N
- SMILES： OC1C(CCCCCCCCCCC(C(C)C1)=O)=O
Computed Properties
- Exact Mass: 268.20394
- Monoisotopic Mass: 268.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1,5-Cyclopentadecanedione, 2-hydroxy-4-methyl- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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