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
-2.2971 0.5599 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2941 -0.5399 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1032 -0.0669 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9580 -0.5436 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3296 -0.0881 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0874 -0.6027 1.2788 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.9089 -0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8524 0.4000 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0656 0.5976 -1.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 1.5182 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -1.3340 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5007 -1.0159 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 0.7166 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -1.3316 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8732 0.8214 -0.5902 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