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
1.8422 -0.0553 -0.3552 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7560 -0.1400 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -0.5395 -0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4845 0.2689 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1105 0.8885 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9195 -0.9381 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5713 0.8218 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4730 -1.4858 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3645 -0.0193 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 1.1988 0.2542 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