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
-2.3871 0.0495 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3053 -0.6461 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0803 0.1421 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1078 -0.2434 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3053 0.5445 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3028 1.6677 -0.9514 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4987 0.0457 0.1137 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3027 -0.5640 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0931 0.1571 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6420 1.0418 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 -1.5820 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7444 -0.9295 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 1.1036 -1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1421 -1.1991 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3669 0.4122 -0.3018 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