Monomers
2-Propenyl trimethylacetate
Identifiers
IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
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
4.0549 -0.1451 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9631 0.0508 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0594 -1.0663 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.9133 -0.0668 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1411 0.0324 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2641 0.8373 -1.3354 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5230 0.1906 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4143 0.4380 1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1725 1.4324 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3781 -1.0203 -0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7749 0.6430 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2940 -1.1001 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8433 1.0564 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9622 -1.2164 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5330 -2.0043 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7105 -0.3335 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 1.4111 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3894 0.4369 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8439 2.3437 -0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8968 1.5691 -1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2947 1.3199 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2386 -0.7417 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8183 -1.3994 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8089 -1.8215 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
8 16 1 0
8 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