Monomers
4-(4-Methoxyphenyl)-1-butene
Identifiers
IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
26 26 0 0 0 0 0 0 0 0999 V2000
3.9600 1.6673 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5792 0.4152 0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3035 -0.0738 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3926 0.6651 0.9253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0930 0.2248 1.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3119 -0.9798 0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 -1.7265 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8936 -1.2835 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 -1.4514 0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5510 -0.9514 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5292 0.5344 -0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 1.2268 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0381 1.8401 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7258 1.7112 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3663 2.4972 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7182 1.6158 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6132 0.8116 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3078 -2.6814 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6114 -1.8598 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7145 -2.5585 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 -1.0500 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 -1.3079 -1.2605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5938 -1.3228 -0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5678 1.0168 -0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5670 0.7106 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6125 2.3098 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 1 0
11 12 2 3
8 3 1 0
1 13 1 0
1 14 1 0
1 15 1 0
4 16 1 0
5 17 1 0
7 18 1 0
8 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
11 24 1 0
12 25 1 0
12 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers