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
1.3075 0.2200 -1.3059 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -0.0265 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5799 0.4548 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5230 -0.4027 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2893 0.3605 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 -1.1011 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 0.4941 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 1.5027 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5364 -0.0678 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2811 -1.4340 0.5956 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