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
-1.1201 0.9811 0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8871 0.1202 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4909 -0.4108 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3788 -0.0972 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4038 0.4050 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1043 0.7005 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6609 -0.6866 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 -1.0918 -1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1369 0.5787 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3841 -0.4992 0.4591 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