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
-2.1439 -0.6954 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 -0.3502 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2856 0.9097 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 1.0465 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8844 0.0398 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7946 -1.1939 0.3059 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 0.4530 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9242 -0.7907 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9536 0.0038 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4546 -1.6956 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -1.1737 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.2591 -1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8718 1.8404 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 2.0893 0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8321 -0.2239 1.3172 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