Monomers
Methyl 4-methyl-2-methylidenepentanoate
Identifiers
IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
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
4.2852 0.3530 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0873 -0.3376 0.0591 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 0.3100 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 1.4844 0.7430 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 -0.3405 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 -1.5555 -0.4232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6002 0.4595 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9062 -0.1702 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2055 -0.5937 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9983 0.7646 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7900 -0.1505 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0849 1.3934 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9910 0.3193 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -2.1023 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5481 -2.0520 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5522 0.7341 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5035 1.4180 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0214 -1.0898 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6096 -1.6231 -1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9923 0.0738 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3288 -0.4271 -1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0240 0.8724 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7913 1.7823 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9901 0.4777 0.1324 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
3 5 1 0
5 6 2 3
5 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
7 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