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
1.7394 -0.4396 -0.4361 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 0.1647 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5389 -0.5290 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5775 0.1284 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5262 0.1239 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7014 1.2291 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0535 0.1103 1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6402 -1.5840 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5201 1.1764 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5063 -0.3801 -0.4670 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