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
-1.1361 1.0752 -0.1261 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 -0.2869 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 -0.6382 -0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3364 0.2668 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6941 1.4926 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5991 -0.8473 -0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3694 -0.6078 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6637 -1.7070 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3594 -0.0515 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0900 1.3041 -0.3454 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