Monomers
Allyl alcohol
Identifiers
IUPAC name
prop-2-en-1-ol
InchI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InchI Key
XXROGKLTLUQVRX-UHFFFAOYSA-N
SMILES
OCC=C
Canonical SMILES
C=CCO
Isomeric SMILES
C=CCO
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C3H6O
Heavy Atom Count
4
Molecular Weight
58.08
Exact Molecular Weight
58.0419
Valence Electrons
24
Radical Electrons
0
tPSA
20.23
MolLogP
0.1647
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
10 9 0 0 0 0 0 0 0 0999 V2000
-1.7999 0.0790 0.7026 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 -0.5232 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3525 0.4222 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 0.1220 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1264 0.8284 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1964 -0.8711 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4248 -1.3958 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2050 1.3780 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4183 0.7875 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7817 -0.8270 0.7040 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
1 5 1 0
2 6 1 0
2 7 1 0
3 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers