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
1.6616 -0.1939 0.8246 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6030 0.6225 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2024 -0.1914 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4639 -0.4426 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0383 -0.6478 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 1.4991 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0223 0.9840 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -0.5479 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8941 -0.0522 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0972 -1.0299 -0.8979 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