Monomers
cis-Pent-2-enoic acid
Identifiers
IUPAC name
(Z)-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-ARJAWSKDSA-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
-2.3882 -0.5221 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1977 0.0127 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0813 -0.5022 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9841 0.3186 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2150 -0.1676 -0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4750 -1.3999 -0.8088 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1667 0.6978 -1.2489 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1242 -0.8566 -0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 0.3114 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8784 -1.3726 0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1651 1.1184 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 -0.3344 1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2763 -1.5629 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 1.3749 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1122 0.4374 -1.4857 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