Monomers
2-Pentenoic acid
Identifiers
IUPAC name
(E)-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-ONEGZZNKSA-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
-2.4158 0.0971 0.2641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 0.2923 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0242 -0.4018 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0609 0.2864 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -0.3550 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 -1.5999 0.6906 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4329 0.3740 0.8124 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6109 0.9755 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3310 -0.7763 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3395 -0.0129 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4698 -0.1042 -1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0637 1.3795 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0025 -1.4675 -0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0583 1.3557 -0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3614 -0.0428 0.6390 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