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
-2.7470 1.2464 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3472 0.9294 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 -0.4317 0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.6677 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 -1.6550 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 0.1818 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 1.1283 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8774 -0.0037 -0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9473 0.8489 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8353 -1.5061 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7353 2.2721 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4740 1.2284 -0.4884 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1252 0.5169 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3317 0.8972 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6364 1.6886 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 -0.4671 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 -1.8178 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0770 -2.3017 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0371 0.8821 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8622 0.4693 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 1.8704 -0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8958 -1.4431 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4521 -2.4710 0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8382 -1.3951 0.3348 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