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
0.7988 -1.0852 0.5463 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9166 0.1894 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4145 0.6938 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 -0.1007 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6294 -1.5227 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6335 0.1788 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2792 0.8572 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5874 1.6762 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3533 -1.1103 0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4483 0.2236 -0.4262 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