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
1.4098 0.7204 0.2525 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7589 -0.3572 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7067 -0.3520 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3522 0.5703 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3355 0.4449 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1570 -1.3311 0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.4020 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -1.2097 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8459 1.4184 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4161 0.4979 0.7536 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