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
-1.9110 0.9056 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7948 0.1220 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3163 -0.9667 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8733 -1.1153 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9980 -0.2765 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1256 -0.6057 -0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0459 0.8840 0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2530 1.6646 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 1.4066 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7376 0.1981 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0165 0.8057 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2660 -0.3003 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0519 -1.7618 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0633 -2.0078 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8008 1.0477 0.9839 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