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
-1.9035 -0.1880 -0.2796 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 -0.6789 0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3234 0.3854 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4449 0.3596 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9420 0.8018 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -1.4455 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8661 -1.1403 1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1192 1.1595 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 1.1398 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6847 -0.3933 -1.0763 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