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
2.2589 -0.4260 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 0.6668 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1148 0.2943 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9547 0.2898 -0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3636 -0.0786 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1553 -0.0795 -1.6108 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8452 -0.4321 0.6128 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1045 -1.3071 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1670 -0.7498 1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 -0.0392 0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4520 0.9267 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5012 1.5622 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4973 0.0136 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5862 0.5632 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5211 -1.2044 0.6718 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