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
-2.0769 0.8826 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1607 -0.3499 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0857 -0.1076 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1897 -0.1291 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8797 -0.3948 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3005 -0.6496 -1.4951 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 -0.3837 -0.5014 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 0.5771 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9008 1.3848 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 1.5690 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8290 -1.1638 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8324 -0.6084 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4115 0.1168 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8578 0.0828 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7814 -0.8262 -1.2578 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