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
-1.5402 0.1156 -0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5304 -0.5593 0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8243 -0.0588 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9890 0.9385 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2595 -0.4634 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7051 -0.4833 1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5713 -1.6664 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6877 -0.5281 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1357 1.4103 -1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9698 1.2949 -1.1114 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