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
1.8665 -0.0985 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5626 -0.5549 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2917 -0.1866 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3513 0.5884 -0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9333 0.8847 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 -0.1685 1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6321 -1.6660 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0142 -0.6105 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 0.9980 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9243 0.8139 -1.6751 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