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
-2.2566 0.3812 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2823 -0.7466 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 -0.1721 0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1045 -0.4983 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3929 0.0928 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3727 -0.2153 -0.9750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5171 0.9847 0.7621 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6724 1.3069 -0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.6305 0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9706 0.1066 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3063 -1.4709 -0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6121 -1.2139 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1773 0.5323 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9735 -1.2181 -1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3621 1.5003 0.9248 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