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
-1.6161 1.0173 0.1497 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9910 -0.2314 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3463 -0.1391 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4275 -0.2919 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9618 1.6840 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5947 -1.0579 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8567 -0.3186 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4260 0.0480 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4115 -0.4839 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -0.2265 0.2627 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