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
4.3623 -1.4489 -0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1544 -1.7470 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0584 -0.8947 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9283 -1.3005 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2041 -0.4963 1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2402 0.7323 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9063 1.1153 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0300 0.3157 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 1.5974 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3888 1.3113 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8635 -0.0929 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1524 -0.3657 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 -1.7030 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6788 -0.3933 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1568 -2.0761 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9227 -2.2619 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -0.8083 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8643 2.0906 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9070 0.6454 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9828 1.3797 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1661 2.6640 0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2662 1.9748 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9428 1.5972 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1594 -0.9259 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5406 -1.3646 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8496 0.4554 -0.5102 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