Monomers
2-Ethenyl-5-methylfuran
Identifiers
IUPAC name
2-ethenyl-5-methylfuran
InchI
InChI=1S/C7H8O/c1-3-7-5-4-6(2)8-7/h3-5H,1H2,2H3
InchI Key
LTQOQNQWJBSGPF-UHFFFAOYSA-N
SMILES
Cc1ccc(o1)C=C
Canonical SMILES
CC1=CC=C(O1)C=C
Isomeric SMILES
CC1=CC=C(O1)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H8O
Heavy Atom Count
8
Molecular Weight
108.14
Exact Molecular Weight
108.0575
Valence Electrons
42
Radical Electrons
0
tPSA
13.14
MolLogP
2.231
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
-2.8784 0.4757 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4233 0.0947 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9092 -1.1822 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4574 -1.0769 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7288 0.2552 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4035 0.8994 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0468 0.9229 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1121 0.1560 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1681 0.4505 -1.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4821 -0.2201 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0519 1.4895 -0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 -2.1114 -0.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1980 -1.8541 -0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1313 1.9903 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0755 0.6337 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0496 -0.9232 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 2 3
6 2 1 0
1 9 1 0
1 10 1 0
1 11 1 0
3 12 1 0
4 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers