Monomers
Hexyl methacrylate
Identifiers
IUPAC name
hexyl 2-methylprop-2-enoate
InchI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3
InchI Key
LNCPIMCVTKXXOY-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)C(=C)C
Canonical SMILES
CCCCCCOC(=O)C(=C)C
Isomeric SMILES
CCCCCCOC(=O)C(=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H18O2
Heavy Atom Count
12
Molecular Weight
170.252
Exact Molecular Weight
170.1307
Valence Electrons
70
Radical Electrons
0
tPSA
26.3
MolLogP
2.686
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
30 29 0 0 0 0 0 0 0 0999 V2000
5.1278 0.0076 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0467 0.2275 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6590 -0.0286 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6766 0.2298 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 0.0052 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7326 0.2620 1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 0.0533 0.9595 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 0.7105 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0910 1.6064 -0.6806 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0797 0.4176 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7000 1.0621 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8481 -0.6416 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8074 0.1927 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9475 0.7252 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5715 -1.0034 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0958 1.2716 0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 -0.4789 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5022 0.6970 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5325 -1.0592 -0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8192 1.2867 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9475 -0.3853 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0534 0.7154 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1426 -1.0158 -0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5643 1.2313 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5158 -0.5310 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2220 1.8420 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7206 0.8374 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5470 -1.1542 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4829 -0.1771 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1440 -1.3857 0.7005 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
1 13 1 0
1 14 1 0
1 15 1 0
2 16 1 0
2 17 1 0
3 18 1 0
3 19 1 0
4 20 1 0
4 21 1 0
5 22 1 0
5 23 1 0
6 24 1 0
6 25 1 0
11 26 1 0
11 27 1 0
12 28 1 0
12 29 1 0
12 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers