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
4.7929 0.0423 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8460 0.9978 -0.3152 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5031 0.7449 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5266 1.6561 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1914 1.3697 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 0.1859 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7677 -0.7065 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0955 -0.4332 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6369 -0.0468 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3582 -0.7211 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7884 -0.8660 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7625 -0.3125 -0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 0.4333 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6921 -0.8331 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6073 -0.3089 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8337 2.5872 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5131 2.1350 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4139 -1.6261 1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -1.2028 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7855 -0.6229 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1288 0.9336 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3186 -0.1096 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 -1.7198 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0879 -1.4269 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8080 -0.3978 -0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5012 0.2479 -1.8009 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