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
-2.4604 -0.8931 -0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 -0.0810 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2203 1.2378 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1066 1.5211 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7994 0.3771 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0549 -0.5324 -0.1534 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2528 0.1781 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7922 -0.9934 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4229 -1.8184 0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4710 -1.0772 -1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4111 -0.3821 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0673 1.9309 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5349 2.4654 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8955 0.9839 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1477 -1.7993 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8587 -1.1174 0.1707 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