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
-2.3710 0.4747 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3298 -0.6145 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0643 -0.2955 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0575 -0.2192 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 0.0983 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3839 0.3105 -1.4193 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4870 0.1788 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8681 1.4605 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9622 0.3675 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0765 0.3754 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1575 -0.7436 1.5331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7491 -1.5188 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0535 -0.1238 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0844 -0.3860 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3103 0.6356 0.1355 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