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
-1.8634 -0.3138 -0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8746 0.4847 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3379 -0.3060 0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5100 0.0147 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5420 -1.2502 -0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6113 1.2514 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2464 0.9618 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2458 -1.1375 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6364 0.8393 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4076 -0.5443 0.1055 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