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
-1.9380 -0.6879 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -0.6287 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3156 0.7490 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8528 1.2793 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0352 0.6550 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1264 1.2897 0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0792 -0.6776 0.3698 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5250 -1.5921 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5709 -0.7585 1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6050 0.1856 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1838 -1.0728 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0032 -1.3203 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0889 1.4378 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9547 2.3628 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 -1.2213 0.2162 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