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
-1.1155 -0.8278 -0.3561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8292 0.4629 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5894 0.5718 0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3752 -0.4905 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8425 -1.2574 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 0.7757 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0060 1.1086 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9418 1.5586 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4199 -0.4636 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9697 -1.4385 0.0536 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