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
-2.2909 0.0394 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2924 -0.7881 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1279 0.0642 -0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0867 -0.2475 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1994 0.6066 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0146 1.6288 -1.0602 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4938 0.3319 0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3238 -0.2717 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1045 -0.0646 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2022 1.1034 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7468 -1.1307 -0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9430 -1.6698 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 0.9334 -0.9516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2581 -1.1061 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 0.5707 -0.5350 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