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
1.8258 -0.0558 -0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7503 -0.5035 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3600 0.4480 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5727 0.1333 0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2652 0.7487 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 -1.4363 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1008 -0.7228 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2247 1.4257 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7604 -0.8413 -0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4232 0.8040 0.0700 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