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
1.8399 -0.6159 -0.1785 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8677 0.3960 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 0.0888 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5026 -0.0071 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4423 -1.5127 -0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5769 0.4760 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3762 1.3303 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2219 -0.0587 1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4062 -0.2312 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6571 0.1343 -1.0496 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