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
-0.5986 -1.4117 -1.1968 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2659 -0.9242 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3140 0.5553 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0234 1.2467 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4579 -0.9044 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0757 -1.3183 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2782 -1.3538 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6366 1.0897 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 0.6984 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 2.3223 0.9398 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