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
-2.0675 0.3875 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 0.2193 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0966 -0.9977 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1397 -1.1151 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1051 -0.0607 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3008 -0.3183 -0.6789 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8081 1.2774 -0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7629 0.2222 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3921 1.4483 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9147 -0.2420 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2881 0.0834 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3001 1.1535 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6534 -1.9583 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5288 -2.1311 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 2.0318 -0.3722 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