Monomers
Isobutyl methacrylate
Identifiers
IUPAC name
2-methylpropyl 2-methylprop-2-enoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3
InchI Key
RUMACXVDVNRZJZ-UHFFFAOYSA-N
SMILES
CC(COC(=O)C(=C)C)C
Canonical SMILES
CC(C)COC(=O)C(=C)C
Isomeric SMILES
CC(C)COC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.2864 -0.5193 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8859 -0.0768 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9829 -0.2895 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3476 0.0698 -0.9374 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 -0.4912 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.3899 0.7503 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5601 -0.0493 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0250 0.9073 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4028 -0.6575 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 1.3367 0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7267 0.3481 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8822 -0.8395 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1507 -1.3629 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5826 -0.7585 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1030 -1.3611 -1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3334 0.2946 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0357 1.2831 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4020 1.3547 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0336 -0.2998 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4463 -0.3491 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3452 -1.7611 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.3924 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 1.7387 0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2124 1.9611 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
7 9 1 0
2 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers