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
1.1315 -0.9329 0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8704 0.2427 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 0.5428 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5301 -0.2418 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0966 -1.1493 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3825 1.1001 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3615 0.1650 -1.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8605 1.4511 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5797 -0.0023 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3142 -1.1753 0.5694 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