Monomers
Methyl 3-methyl-2-methylidenepentanoate
Identifiers
IUPAC name
methyl 3-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-5-6(2)7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
KUZGPOJHTGUYAO-UHFFFAOYSA-N
SMILES
CCC(C(=C)C(=O)OC)C
Canonical SMILES
CCC(C)C(=C)C(=O)OC
Isomeric SMILES
CCC(C)C(=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
-2.2001 -1.5788 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0151 -0.7161 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 0.2446 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 1.1099 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3218 2.4163 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 0.5245 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7277 1.3038 -0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0408 -0.8176 0.3316 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2926 -1.4164 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9344 1.1190 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3281 -1.5344 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0499 -2.6419 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1329 -1.1866 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2901 -0.1429 -1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1556 -1.3899 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5224 -0.3733 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1780 3.0383 0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6143 2.8884 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1299 -0.6894 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5341 -2.1790 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2398 -1.9671 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7599 1.8259 1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8283 0.4804 1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 1.6822 -0.0039 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 2 3
4 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
3 10 1 0
1 11 1 0
1 12 1 0
1 13 1 0
2 14 1 0
2 15 1 0
3 16 1 0
5 17 1 0
5 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