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
-2.3056 0.6224 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4054 -0.6033 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0373 -0.1598 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0037 -0.4371 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3151 0.0093 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4760 0.6598 1.2074 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4646 -0.2525 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7020 1.3715 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 1.0410 0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1819 0.3204 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7742 -1.2739 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 -1.1489 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1073 0.3979 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 -0.9945 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1944 0.4477 -0.5730 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