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
-1.6442 0.3226 0.8422 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7605 -0.5467 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 0.3021 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5286 0.1041 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9074 1.0447 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 -1.1355 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3378 -1.2081 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0566 1.0587 -1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7911 -0.6362 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3315 0.6942 -0.5163 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