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
-1.5690 -0.1073 0.9613 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8048 0.2115 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4709 -0.5478 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6550 0.0438 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4600 0.3171 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6592 1.3013 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3154 -0.1728 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3665 -1.6266 -0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7537 1.1203 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5623 -0.5395 0.0601 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