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
-2.3300 0.4646 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3779 -0.6342 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -0.0279 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0326 -0.3546 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2795 0.2457 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3190 1.0732 1.2694 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4674 -0.0865 -0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0966 0.0224 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7764 0.9744 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7250 1.2189 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 -1.1973 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 -1.3480 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 0.6949 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0074 -1.0691 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3121 0.0236 0.2606 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