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
-1.1179 0.9992 -0.6345 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0128 -0.1425 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3541 -0.5368 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3946 0.1660 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6616 0.9821 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5485 -1.0084 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5453 0.0599 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5211 -1.4324 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2006 1.0524 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4158 -0.1395 0.2946 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