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
4.8038 -0.1991 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7756 -0.8669 0.9024 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 -0.6781 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4475 -1.3692 1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0982 -1.2169 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 -0.3513 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6178 0.3558 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9760 0.1984 -0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7498 -0.1104 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3860 0.9778 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8036 1.1231 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3136 0.3396 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5108 -0.1320 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7801 -0.6812 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8938 0.8644 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 -2.0704 2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6314 -1.7701 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 1.0595 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 0.7712 -0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2737 -1.0701 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8165 0.1523 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 1.9443 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3962 0.8274 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4514 1.8787 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3693 0.4562 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7497 -0.4329 -1.3104 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