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
-2.2147 0.0731 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8968 -0.5533 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0248 -0.8412 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 -0.3460 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 0.5782 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4118 1.0763 1.1685 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1372 1.0465 -0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 1.1867 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4757 -0.1795 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0292 -0.2153 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4138 0.0182 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2083 -1.5271 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4252 -1.5599 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7248 -0.6526 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5023 1.8957 0.1756 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