Cas no 56975-51-0 (2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one)
56975-51-0 structure
Product Name:2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one
CAS No:56975-51-0
MF:C16H26O
MW:234.377045154572
CID:1603359
PubChem ID:92615
Update Time:2024-03-01
2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one Chemical and Physical Properties
Names and Identifiers
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- 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one
- 3-methyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[12]annulen-1-one
- 1-methyl-1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one
- 2,3,4,5,6,7,8,9,10,11,12,13-Dodecahydro-3-methyl-1H-cyclopentacyclododecen-1-one
- Einecs 260-496-1
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- Inchi： 1S/C16H26O/c1-13-12-16(17)15-11-9-7-5-3-2-4-6-8-10-14(13)15/h13H,2-12H2,1H3
- InChI Key： RSJCZMMJWOHZNN-UHFFFAOYSA-N
- SMILES： O=C1CC(C)C2CCCCCCCCCCC=21
Computed Properties
- Exact Mass: 234.198365
- Monoisotopic Mass: 234.198365
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 301
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 5.1
Experimental Properties
- Density: 0.95
- Boiling Point: 365.6°C at 760 mmHg
- Flash Point: 165.2°C
- Refractive Index: 1.494
- PSA: 17.07000
- LogP: 4.80650
2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-3-methyl-1H-cyclopent-1-ylcyclododecen-1-one Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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