Cas no 137288-61-0 (Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-,(1R,2R,3S,4R)-)
137288-61-0 structure
Product Name:Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-,(1R,2R,3S,4R)-
CAS No:137288-61-0
MF:C15H22O4
MW:266.332785129547
CID:836844
PubChem ID:73097275
Update Time:2025-04-19
Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-,(1R,2R,3S,4R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-, (1R,2R,3S,4R)-
- 2-[(1R,2R,3S,4R)-2-Formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]acryl ic acid
- 4,5-Dioxo-4,5-seco-11(13)-cadinen-12-oic acid
- Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-,(1R,2R,3S,4R)-
- AKOS032962411
- 137288-61-0
- 2-[(1R,2R,3S,4R)-2-formyl-4-methyl-3-(3-oxobutyl)cyclohexyl]prop-2-enoic Acid
-
- Inchi： 1S/C15H22O4/c1-9-4-6-13(11(3)15(18)19)14(8-16)12(9)7-5-10(2)17/h8-9,12-14H,3-7H2,1-2H3,(H,18,19)
- InChI Key： ZUVZYHLJLPPRFY-UHFFFAOYSA-N
- SMILES： O=CC1C(C(=C)C(=O)O)CCC(C)C1CCC(C)=O
Computed Properties
- Exact Mass: 266.15200
- Monoisotopic Mass: 266.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 386
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- Color/Form: Oil
- PSA: 71.44000
- LogP: 2.47380
Cyclohexaneacetic acid, 2-formyl-4-methyl-a-methylene-3-(3-oxobutyl)-,(1R,2R,3S,4R)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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