Cas no 5739-17-3 (2-methyl-3-pentylcyclopent-2-en-1-one)
5739-17-3 structure
Product Name:2-methyl-3-pentylcyclopent-2-en-1-one
2-methyl-3-pentylcyclopent-2-en-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-3-pentylcyclopent-2-en-1-one
- 2-Cyclopenten-1-one, 2-methyl-3-pentyl-
- 2-Methyl-3-pentyl-2-cyclopenten-1-one
- AI3-24269
- 2-Methyl-3-pentyl-2-cyclopenten-1-one #
- 2-methyl-3-pentylcyclopent-2-enone
- 2-methyl-3-pentyl-2-cyclopentenone
- SCHEMBL4199013
- D4SQ3W3AR2
- UNII-D4SQ3W3AR2
- DTXSID5063996
- NS00033708
- ISOJASMONE, DIHYDRO-
- AKOS006272164
- 5739-17-3
- EINECS 227-252-6
-
- Inchi： 1S/C11H18O/c1-3-4-5-6-10-7-8-11(12)9(10)2/h3-8H2,1-2H3
- InChI Key： NEZHCMOOOIHCJA-UHFFFAOYSA-N
- SMILES： O=C1C(C)=C(CC1)CCCCC
Computed Properties
- Exact Mass: 166.13584
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 10
- XLogP3: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-methyl-3-pentylcyclopent-2-en-1-one Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
5739-17-3 (2-methyl-3-pentylcyclopent-2-en-1-one) Related Products
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