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
-1.8041 -0.5407 -0.4286 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.3905 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2543 0.1019 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4976 -0.1051 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5111 -1.4679 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2635 1.3593 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 0.5723 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0744 0.0749 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7907 -0.0722 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2290 -0.3130 1.0032 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