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
-1.4526 0.8788 -0.6717 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7833 0.1224 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4096 -0.4682 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6483 -0.2333 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4051 1.0228 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4549 -0.6947 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5530 0.7472 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2435 -1.1233 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8341 0.4205 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5133 -0.6722 -0.4121 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