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
-1.6414 0.1145 0.8872 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7975 -0.2110 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5965 -0.4485 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5703 0.3007 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3528 0.7340 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8605 0.6300 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2258 -1.0951 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7546 -1.2526 0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 1.0807 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5837 0.1473 0.1270 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