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
-1.9666 0.5743 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 -0.8088 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0129 -0.8614 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7664 0.1835 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 0.1429 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7119 -0.9865 0.5096 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0195 1.2540 -0.0113 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8447 1.2950 0.5148 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 0.9112 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 0.5447 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7962 -1.4913 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9449 -1.1411 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 -1.8003 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 1.1353 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9992 1.0483 -0.2628 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