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
-2.2127 0.6045 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 -0.3768 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0531 -0.3486 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9609 -0.0518 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3565 -0.0211 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2138 0.2670 1.3787 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8165 -0.2940 -0.7673 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8615 1.2127 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5895 1.3386 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9056 0.0513 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 -1.4203 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 -0.2232 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 -0.5849 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6810 0.1707 1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8196 -0.3242 -1.0033 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