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
-2.0388 0.0328 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9311 -0.3039 -1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3604 -0.2277 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4722 0.0843 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7514 0.1488 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8391 0.4489 2.4149 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9668 -0.1081 0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0175 -0.7184 0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0342 0.0461 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9163 1.0607 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9499 0.5063 -2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0999 -1.2758 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2502 -0.4369 -1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4202 0.2962 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7678 0.4465 0.8678 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