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
1.5486 -0.4350 -0.9554 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8012 0.0219 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5714 -0.5036 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5988 0.3223 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 0.0245 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3125 -0.3294 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8559 1.1251 0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7623 -1.5648 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3830 1.3893 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6305 -0.0503 0.0724 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