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
1.5753 -0.1807 0.9409 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8071 0.3909 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4083 -0.4527 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 0.0425 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3056 -0.7069 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 1.4107 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3651 0.4812 -1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3084 -1.5095 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5026 -0.5609 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7146 1.0855 0.2315 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