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
-1.9201 0.3141 0.1846 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -0.5542 0.1775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3482 0.0514 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5013 0.2437 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6291 1.2641 0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5410 -0.8769 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1181 -1.4393 -0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2166 0.3264 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6737 -0.0152 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3000 0.6859 -0.4675 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