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
-1.8241 -0.3900 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7686 0.3925 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4866 -0.3601 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5564 -0.0139 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3900 -0.7499 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9831 0.8500 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 1.2249 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5027 -1.2242 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5646 0.8421 -1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4833 -0.5714 -0.7239 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