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
-1.6371 0.0082 -0.5897 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9624 0.4604 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4100 0.1218 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 -0.1732 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5779 -0.9762 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0553 1.6164 0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5378 0.2520 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3334 -0.7427 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1967 0.2447 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 -0.8113 0.9002 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