Monomers

Tert-butyl ethyl fumarate

Identifiers

IUPAC name
4-O-tert-butyl 1-O-ethyl (E)-but-2-enedioate
InchI
InChI=1S/C10H16O4/c1-5-13-8(11)6-7-9(12)14-10(2,3)4/h6-7H,5H2,1-4H3/b7-6+
InchI Key
CZFQVAZEWFKUTC-VOTSOKGWSA-N
SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
Canonical SMILES
CCOC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CCOC(=O)/C=C/C(=O)OC(C)(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O4
Heavy Atom Count
14
Molecular Weight
200.234
Exact Molecular Weight
200.1049
Valence Electrons
80
Radical Electrons
0
tPSA
52.6
MolLogP
1.4474
H Bond Acceptors
4
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

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.2302    0.2056   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1309    0.2337    1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8988    0.1530    0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6714    0.1489    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    0.2261    2.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4236    0.0616    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.0587    0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -0.0286    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165   -0.1038   -1.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113   -0.0306    0.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771   -0.1194   -0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3796    1.0609   -1.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6391   -0.1321    0.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3557   -1.4354   -0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -0.3740   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035   -0.3467    0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4777    1.2161   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2499   -0.5565    1.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2388    1.2437    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4769   -0.0023   -0.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2025    0.1227    1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5180    0.7005   -2.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455    1.6529   -0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2006    1.7688   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5025    0.4376    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9490   -1.1964    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4342    0.3266    0.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -1.2252   -1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444   -1.8805   -0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -2.1861   -0.3541 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  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  6 20  1  0
  7 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 14 30  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers