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
-1.6730 -0.4506 0.9234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 0.3353 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 -0.3903 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6535 0.0248 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5218 -0.5501 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4884 1.2239 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3076 0.7252 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3808 -1.3080 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7504 0.9218 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5360 -0.5321 -0.0405 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