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
-1.7346 0.2236 0.8131 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7467 0.4460 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3735 -0.4817 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6029 -0.0698 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3282 -0.5285 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4639 1.5032 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 0.2456 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1805 -1.5474 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8737 0.9806 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 -0.7716 0.5698 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