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
-1.6039 0.5603 0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9407 -0.0451 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3601 -0.5280 0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5085 -0.1094 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2815 1.4885 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8254 0.6784 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5393 -0.9319 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3560 -1.2450 1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4239 -0.4998 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 0.6320 -1.0535 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