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
-0.9651 0.4349 -1.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8007 -0.4969 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8110 0.2495 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1231 0.3070 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4216 -0.3450 1.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8503 -1.0918 0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3393 -0.1725 2.4305 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0204 0.7067 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6773 -0.0662 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3922 1.3624 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7044 -1.1818 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0981 -1.0918 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7301 0.8318 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0503 0.9321 2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3193 -0.3784 2.2803 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