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
-4.8147 -0.2454 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7516 0.6583 0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4311 0.3105 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0332 -0.9712 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7040 -1.2747 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2733 -0.3372 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 0.9420 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4815 1.2630 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7178 -0.6796 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3023 -0.4739 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7373 -0.8247 -0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6944 0.0403 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7395 0.2883 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0751 -0.7483 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5433 -0.9596 -0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7361 -1.7685 0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 -2.2946 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 1.6993 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7502 2.2827 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2203 -0.0103 1.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9048 -1.7115 0.7688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7331 -1.0397 -1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2279 0.6008 -1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 -1.8295 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4094 1.0496 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7436 -0.2189 -1.2253 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