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
1.7570 0.5278 -0.5785 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5035 0.8044 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2010 -0.4266 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 -0.7449 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2281 -0.1870 -0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5539 1.4756 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0763 1.3582 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2279 -1.0522 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7687 -0.1271 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8743 -1.6281 0.1698 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