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
-1.9733 0.2583 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9039 -0.6502 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 -0.1895 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7822 0.1357 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9239 0.1233 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9435 -0.2093 -0.9436 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1866 0.5210 0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5083 1.1446 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7597 0.5171 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4395 -0.3254 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3669 -1.6597 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1289 -0.7495 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 -0.1178 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9684 0.4709 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9063 0.7306 0.1153 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