Monomers
2-Ethylhexyl methacrylate
Identifiers
IUPAC name
2-ethylhexyl 2-methylprop-2-enoate
InchI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
InchI Key
WDQMWEYDKDCEHT-UHFFFAOYSA-N
SMILES
CCCCC(COC(=O)C(=C)C)CC
Canonical SMILES
CCCCC(CC)COC(=O)C(=C)C
Isomeric SMILES
CCCCC(CC)COC(=O)C(=C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O2
Heavy Atom Count
14
Molecular Weight
198.306
Exact Molecular Weight
198.162
Valence Electrons
82
Radical Electrons
0
tPSA
26.3
MolLogP
3.3221
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
36 35 0 0 0 0 0 0 0 0999 V2000
-3.1301 1.4487 2.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6913 1.4803 1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9531 0.1535 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 0.0598 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2359 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -1.4424 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4374 -0.4551 -0.0269 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6290 -0.4470 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8026 -1.3699 1.5142 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6552 0.5886 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7761 0.5528 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4244 1.6605 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -1.4484 -2.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 -1.4419 -3.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 2.2152 2.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4599 0.4250 2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2682 1.7039 3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6105 1.4216 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0496 2.3354 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0899 0.1249 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -0.6333 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9015 0.9525 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 0.0359 -1.1598 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -2.0522 -0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -1.4209 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8256 -2.4650 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5276 1.3043 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9840 -0.2108 1.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0293 2.5481 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 1.9381 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7212 1.3055 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0906 -2.4851 -2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.7615 -2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4217 -2.1222 -3.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7923 -0.4123 -3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3968 -1.8506 -2.3965 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 1 0
6 7 1 0
7 8 1 0
8 9 2 0
8 10 1 0
10 11 2 3
10 12 1 0
5 13 1 0
13 14 1 0
1 15 1 0
1 16 1 0
1 17 1 0
2 18 1 0
2 19 1 0
3 20 1 0
3 21 1 0
4 22 1 0
4 23 1 0
5 24 1 0
6 25 1 0
6 26 1 0
11 27 1 0
11 28 1 0
12 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
14 34 1 0
14 35 1 0
14 36 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers