Cas no 87994-98-7 (2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl-)
87994-98-7 structure
Product Name:2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl-
CAS No:87994-98-7
MF:C11H15IO
MW:290.140675783157
CID:649163
PubChem ID:71411567
Update Time:2025-04-19
2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl-
- 4-(3-iodobut-2-enyl)-4-methylcyclohex-2-en-1-one
- 87994-98-7
- 4-(3-Iodobut-2-en-1-yl)-4-methylcyclohex-2-en-1-one
- DTXSID00831174
-
- Inchi: 1S/C11H15IO/c1-9(12)3-6-11(2)7-4-10(13)5-8-11/h3-4,7H,5-6,8H2,1-2H3
- InChI Key: OJZJKLMLDZYAMI-UHFFFAOYSA-N
- SMILES: IC(C)=CCC1(C)C=CC(CC1)=O
Computed Properties
- Exact Mass: 290.01676g/mol
- Monoisotopic Mass: 290.01676g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.5
- Topological Polar Surface Area: 17.1?2
2-Cyclohexen-1-one, 4-(3-iodo-2-butenyl)-4-methyl- Related Literature
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2. 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
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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