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
1.7734 -0.2278 -0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7418 -0.1712 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4650 0.5044 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6181 -0.1244 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6263 0.1372 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0170 0.3416 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4931 -1.2170 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3913 1.5283 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.3713 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -1.1424 0.1747 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