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
-1.7869 -0.5466 0.3204 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8285 -0.0133 -0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2662 0.5214 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4771 0.0262 0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3055 -0.9049 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -0.8350 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 0.7718 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0495 1.3020 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2648 0.4257 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6232 -0.7473 -0.6032 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