Monomers
2-Hydroxyethyl acrylate
Identifiers
IUPAC name
2-hydroxyethyl prop-2-enoate
InchI
InChI=1S/C5H8O3/c1-2-5(7)8-4-3-6/h2,6H,1,3-4H2
InchI Key
OMIGHNLMNHATMP-UHFFFAOYSA-N
SMILES
OCCOC(=O)C=C
Canonical SMILES
C=CC(=O)OCCO
Isomeric SMILES
C=CC(=O)OCCO
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
46.53
MolLogP
-0.2921
H Bond Acceptors
3
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
16 15 0 0 0 0 0 0 0 0999 V2000
-3.5517 0.3740 0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4948 0.6087 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 0.0968 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 0.2852 -0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -0.1746 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1507 -0.7160 1.1667 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3498 -0.0355 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4767 -0.4644 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3624 -0.4049 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4614 1.6769 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6867 0.0232 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0921 0.6038 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 -1.0018 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 0.4234 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3986 -0.3628 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5272 -0.9320 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
2 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers