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
-1.6676 1.1904 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9305 0.2024 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -0.9345 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8438 -1.3295 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0046 -0.7023 0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1352 -1.2123 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9872 0.4276 1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3159 0.6420 -1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2652 1.8263 0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9502 1.8738 -0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7634 -0.1784 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2557 0.7882 1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1620 -1.5315 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0559 -2.2308 -0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6815 1.1686 0.8772 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