Monomers

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methylethenyl)-

Identifiers

IUPAC name
4,4-dimethyl-2-prop-1-en-2-yl-5H-1,3-oxazole
InchI
InChI=1S/C8H13NO/c1-6(2)7-9-8(3,4)5-10-7/h1,5H2,2-4H3
InchI Key
UZAAWTQDNCMMEX-UHFFFAOYSA-N
SMILES
CC(=C)C1=NC(CO1)(C)C
Canonical SMILES
CC(=C)C1=NC(CO1)(C)C
Isomeric SMILES
CC(=C)C1=NC(CO1)(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H13NO
Heavy Atom Count
10
Molecular Weight
139.198
Exact Molecular Weight
139.0997
Valence Electrons
56
Radical Electrons
0
tPSA
21.59
MolLogP
1.7698
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.1240   -0.7921    0.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033    0.1514    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    1.1620   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -0.0403    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    0.6882   -0.4796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    0.1821   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -1.2608    0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1302   -1.0675    0.7402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1199    0.8416    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3126    0.2062   -1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689   -1.0816    1.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453   -1.7480    0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -0.3243    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7816    1.3419   -0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0612    1.8433   -1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810   -1.9259   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -1.5952    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0101    0.2080    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164    0.7260    1.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    1.8844    0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3354    0.5771   -1.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -0.8204   -1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8987    0.8443   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  6 10  1  0
  8  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  7 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers