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
1.5419 0.6121 -0.0274 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -0.5912 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5822 -0.4648 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2154 0.6827 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1587 1.1097 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1811 -1.0558 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 -1.2818 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1687 -1.3614 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6876 1.6198 -0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2924 0.7306 0.0316 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