Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InchI Key
YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES
CC/C=C/C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C/C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.2332 0.1296 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9174 -0.0009 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0256 -0.9829 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 -0.7358 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 0.5077 0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3556 1.5635 -0.1476 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1352 0.6363 0.8371 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9889 0.2283 0.9914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7259 1.0482 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8945 -0.7320 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2192 -0.3956 -1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 0.9896 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3763 -2.0584 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7000 -1.6060 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7194 1.4084 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
4 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers