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
-1.8858 0.0061 -0.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8511 -0.3152 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4492 -0.4109 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4678 0.3737 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7117 0.9216 -0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 -1.3013 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 0.4666 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5786 -1.1270 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 0.2841 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3758 1.1023 0.7765 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