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
1.0104 -1.1472 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 0.2189 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 0.6705 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -0.1823 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7198 -1.3122 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6885 0.3625 -0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3772 0.7697 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5594 1.7031 -0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3890 0.1334 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1427 -1.2164 0.0038 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