Cas no 87336-95-6 (1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)-)
87336-95-6 structure
Product Name:1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)-
CAS No:87336-95-6
MF:C22H38O4
MW:366.534727573395
CID:657338
PubChem ID:71413110
Update Time:2025-04-19
1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)-
- methyl 4-[2-(4-methoxy-4-oxobutyl)cyclododecen-1-yl]butanoate
- DTXSID40832640
- Dimethyl 4,4'-(cyclododec-1-ene-1,2-diyl)dibutanoate
- 87336-95-6
-
- Inchi： 1S/C22H38O4/c1-25-21(23)17-11-15-19-13-9-7-5-3-4-6-8-10-14-20(19)16-12-18-22(24)26-2/h3-18H2,1-2H3
- InChI Key： OQEOSNWJLAXDPH-UHFFFAOYSA-N
- SMILES： O(C)C(CCCC1CCCCCCCCCCC=1CCCC(=O)OC)=O
Computed Properties
- Exact Mass: 366.27700969g/mol
- Monoisotopic Mass: 366.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 399
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 5.7
- Topological Polar Surface Area: 52.6?2
1-Cyclododecene-1,2-dibutanoic acid, dimethyl ester, (E)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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