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
-1.6830 -0.2884 0.8015 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9155 0.1134 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4032 0.5378 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4719 -0.1034 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2578 -1.0846 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8309 -0.7251 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4761 0.9713 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 1.3526 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -0.9152 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 0.1415 0.1163 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