Monomers
CID 85622357
Identifiers
IUPAC name
methyl 2-(propan-2-yloxymethyl)prop-2-enoate
InchI
InChI=1S/C8H14O3/c1-6(2)11-5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
AUSGESVXHJQSRC-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)COC(C)C
Canonical SMILES
CC(C)OCC(=C)C(=O)OC
Isomeric SMILES
CC(C)OCC(=C)C(=O)OC
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O3
Heavy Atom Count
11
Molecular Weight
158.197
Exact Molecular Weight
158.0943
Valence Electrons
64
Radical Electrons
0
tPSA
35.53
MolLogP
1.1406
H Bond Acceptors
3
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
25 24 0 0 0 0 0 0 0 0999 V2000
3.7302 1.0020 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9368 0.0945 -0.1551 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6045 -0.2131 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2396 0.3980 1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8574 -1.1433 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5190 -1.6721 -1.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 -1.6260 -0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4857 -0.7565 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8473 0.2210 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6980 1.6272 -0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2951 0.1344 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 1.3597 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1528 0.4769 1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1250 1.8814 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0804 -2.3695 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5317 -1.3517 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5012 -2.2610 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6640 -2.4601 -1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2530 0.2793 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8704 1.6952 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6440 1.8566 -0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5560 2.3888 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4415 -0.6880 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9692 0.0550 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5784 1.0715 1.3585 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
9 10 1 0
9 11 1 0
1 12 1 0
1 13 1 0
1 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
9 19 1 0
10 20 1 0
10 21 1 0
10 22 1 0
11 23 1 0
11 24 1 0
11 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers