Cas no 871482-84-7 (2-Cyclopenten-1-one,3-(3,7-dimethyloctyl)-2-hydroxy-)
871482-84-7 structure
Product Name:2-Cyclopenten-1-one,3-(3,7-dimethyloctyl)-2-hydroxy-
CAS No:871482-84-7
MF:C15H26O2
MW:238.365745067596
CID:720759
PubChem ID:11637285
Update Time:2025-04-19
2-Cyclopenten-1-one,3-(3,7-dimethyloctyl)-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one,3-(3,7-dimethyloctyl)-2-hydroxy-
- 3-(3,7-dimethyloctyl)-2-hydroxycyclopent-2-en-1-one
- 3-(3,7-DIMETHYLOCTYL)-2-HYDROXYCYCLOPENT-2-ENONE
- DTXSID50469825
- 871482-84-7
-
- Inchi: 1S/C15H26O2/c1-11(2)5-4-6-12(3)7-8-13-9-10-14(16)15(13)17/h11-12,17H,4-10H2,1-3H3
- InChI Key: IWKDDHCHOBQNQO-UHFFFAOYSA-N
- SMILES: OC1C(CCC=1CCC(C)CCCC(C)C)=O
Computed Properties
- Exact Mass: 238.19300
- Monoisotopic Mass: 238.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 289
- 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: 4.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.986
- Boiling Point: 361.899°C at 760 mmHg
- Flash Point: 154.366°C
- Refractive Index: 1.496
- PSA: 37.30000
- LogP: 4.40400
2-Cyclopenten-1-one,3-(3,7-dimethyloctyl)-2-hydroxy- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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