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
-2.2775 0.6997 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -0.5253 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0704 -0.1169 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0225 -0.3899 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3177 0.0460 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 0.6933 -1.3265 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 -0.2220 0.4026 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2029 0.6018 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5725 0.8445 1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7474 1.5887 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3169 -1.0694 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9059 -1.2296 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0266 0.4421 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9689 -0.9486 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3160 -0.4145 -0.2023 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