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
-1.6415 0.9796 -0.2096 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 -0.2497 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4219 -0.0735 -0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4193 -0.2791 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9607 1.7069 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5023 -1.0378 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0136 -0.5546 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6158 0.2376 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2346 -0.5861 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 -0.1433 0.0699 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