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
1.8099 -0.1347 -0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8065 0.0240 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4317 0.6216 -0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -0.0642 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2170 -1.0530 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5701 -0.9468 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0925 0.7165 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4189 1.5836 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4800 0.3057 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6014 -1.0526 0.2925 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