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
-2.1772 -0.0110 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9772 0.7414 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1627 -0.2653 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0645 -0.6144 -0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 -0.0624 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6022 0.8319 1.1081 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2616 -0.5482 0.4324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5049 0.4760 1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9884 0.0365 -0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8609 -1.0669 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3679 1.4603 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5299 1.3032 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6906 -0.8139 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4749 -1.4158 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9100 -0.0513 1.0418 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