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
-2.1794 0.2438 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9627 -0.6797 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1648 -0.3344 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0804 0.0434 -0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0227 0.2257 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6732 0.0137 1.2886 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3357 0.6323 -0.0725 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9051 -0.2808 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 1.1861 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.4191 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4685 -0.7082 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4219 -1.7085 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7240 -0.4132 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5051 0.2616 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7886 1.0990 0.7004 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