Cas no 71648-17-4 (2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI))
71648-17-4 structure
Product Name:2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI)
CAS No:71648-17-4
MF:C14H22O2
MW:222.323284626007
CID:569247
PubChem ID:36689269
Update Time:2025-04-19
2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI)
- (,Z)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
- [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
- EINECS 275-744-4
- (?,Z)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
- 71648-17-4
-
- Inchi： 1S/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3/b7-5+,13-10-
- InChI Key： MQTAGIYIVBMTBT-RCJDLMDHSA-N
- SMILES： O(C(/C=C/C)=O)C/C=C(/C)\CC/C=C(\C)/C
Computed Properties
- Exact Mass: 222.161979940g/mol
- Monoisotopic Mass: 222.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.3
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI) Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
71648-17-4 (2-Butenoic acid,3,7-dimethyl-2,6-octadienyl ester, (?,Z)- (9CI)) Related Products
- 7367-88-6(Ethyl 2-(E)-Decenoate)
- 1903-23-7(ethyl 2-cycloheptylideneacetate)
- 16409-44-2(2,6-Octadien-1-ol,3,7-dimethyl-, 1-acetate)
- 7367-82-0(trans-2-Octenoic acid ethyl ester)
- 1552-92-7(2-Cyclohexylidene-acetic Acid Ethyl Ester)
- 141-12-8(Neryl acetate)
- 10485-70-8(2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-, methyl ester)
- 1903-22-6(Ethyl 2-cyclopentylideneacetate)
- 27741-65-7(Ethyl 2-cyclobutylideneacetate)
- 15677-00-6(Ethyl-3-methyl-2-hexenoate)
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