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
1.9653 0.6968 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8966 -0.0560 -0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2102 -0.9699 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0535 -1.0067 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1076 -0.1432 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3008 -0.3307 0.5133 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9748 0.8935 -0.8023 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 1.3537 -0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6487 -0.0018 0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4171 1.2826 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4821 -0.6305 -1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2101 0.6545 -1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 -1.7243 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 -1.7936 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4649 1.7756 -0.5819 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