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
-2.3749 0.1146 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3403 -0.4726 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0146 -0.4074 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0115 0.2409 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2843 0.2558 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 -0.3550 -1.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3804 0.9424 0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1847 1.2002 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4108 -0.0993 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 -0.3523 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -0.0171 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6067 -1.5650 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0834 -0.9477 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9274 0.7807 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3397 0.6819 -0.0517 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