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
-1.2996 0.6661 -0.5195 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8615 -0.3732 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6119 -0.4747 0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4601 0.3508 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 1.2358 -0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3170 -1.3398 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2758 -0.2256 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 -1.2792 0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5362 0.2602 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1083 1.1796 -0.8590 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