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
1.7012 0.5676 -0.3535 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7519 -0.0192 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4468 -0.3822 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6396 0.1167 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6036 0.2685 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1469 -0.9057 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4901 0.7270 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -1.0734 -1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7342 0.8171 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5260 -0.1166 -0.5927 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