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
2.3766 0.2752 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3120 0.0266 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0641 -0.4995 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0499 0.1719 0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3274 -0.2823 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3605 -1.3665 -0.9148 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5132 0.4079 -0.1419 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3692 -0.0251 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 1.3672 -0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2098 -0.2969 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1040 0.9373 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6972 -0.7588 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0597 -1.4253 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 1.1123 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2925 0.3561 -0.7881 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