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
1.7400 0.3943 -0.7642 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8904 -0.4069 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5393 -0.1760 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 0.2259 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3423 1.2717 -0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1088 -1.4628 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0862 -0.3105 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -0.3217 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3736 0.3984 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9599 0.3875 1.6271 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