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
-1.3472 1.3376 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 0.2981 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2398 -0.4490 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4793 -0.5123 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5356 0.9312 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6545 -0.3512 -0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3380 0.7619 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0116 -0.9522 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -0.0053 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2401 -1.0588 0.2940 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