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
-2.3363 0.1113 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3181 -0.6926 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1351 0.1344 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 -0.2488 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2726 0.5017 0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 1.5519 1.0303 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5021 0.1123 -0.0926 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2979 -0.4582 -0.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4192 1.1453 -0.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9575 0.0892 -1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7679 -0.9870 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9857 -1.5733 -0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 1.0202 1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 -1.1454 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3875 0.4390 0.3251 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