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
-0.6772 1.3202 -1.1099 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 0.1273 -0.3856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2985 0.1130 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2284 -0.8188 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3269 1.3593 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7149 0.0909 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5543 -0.7033 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2523 0.8875 1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9572 -0.8113 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2628 -1.5647 -0.0466 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