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
-2.5494 0.5183 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2646 -0.0070 0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1429 -1.1723 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1830 -1.3218 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 -0.2283 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0671 0.4969 0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2776 0.0462 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7746 1.1239 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2146 0.8463 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0910 -0.2449 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3314 1.4299 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9589 -1.8406 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6358 -2.1230 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8786 -0.6538 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8373 1.2951 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1941 1.8350 0.7474 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