Cas no 58625-89-1 (3-Pentenoic acid, 2-methyl-, ethyl ester, (Z)-)
58625-89-1 structure
Product Name:3-Pentenoic acid, 2-methyl-, ethyl ester, (Z)-
CAS No:58625-89-1
MF:C8H14O2
MW:142.195562839508
CID:341439
PubChem ID:14423335
Update Time:2025-04-19
3-Pentenoic acid, 2-methyl-, ethyl ester, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentenoic acid, 2-methyl-, ethyl ester, (Z)-
- (Z)-2-methyl-3-pentenoic acid ethyl ester
- ethyl-2-methyl-cis-3-pentenoate
- ethyl (Z)-2-methylpent-3-enoate
- 3-Pentenoic acid, 2-methyl-, ethyl ester
- FEMA No. 3456, Z-
- (3Z)-2-methyl-3-pentenoic acid ethyl ester
- Ethyl 2-methylpent-3-enoate, (3Z)-
- (3Z)-ethyl 2-methyl-3-pentenoate
- ethyl-2 -methyl-cis-3-pentenoate
- 3-Pentenoic acid, 2-methyl-, ethyl ester, (3Z)-
- SCHEMBL10709760
- 3H9X7D21DQ
- ethyl (3E)-2-methyl-3-pentenoate
- 58625-89-1
- Q27257211
- CHEBI:189084
- ETHYL 2-METHYL-3-PENTENOATE, (3Z)-
- ETHYL (3Z)-2-METHYLPENT-3-ENOATE
- UNII-3H9X7D21DQ
- (Z)-ethyl 2-methyl-3-pentenoate
- FEMA 3456
- HOWBPXBYCPKWBL-XQRVVYSFSA-N
-
- Inchi： 1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-
- InChI Key： HOWBPXBYCPKWBL-XQRVVYSFSA-N
- SMILES： O(CC)C(C(/C=C\C)C)=O
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Pentenoic acid, 2-methyl-, ethyl ester, (Z)- Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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