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
-1.9427 0.1365 0.1686 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8068 -0.1457 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 0.4465 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 -0.2711 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7498 0.4760 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9745 0.2060 -1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 -1.2487 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4866 1.5373 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3203 0.2023 0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4480 -1.3391 0.2734 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