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
    3.2465   -0.2951    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488    0.3645   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4619    1.2660   -1.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    0.0267   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2951    0.5072   -0.5640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159   -0.0692   -0.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0188   -0.6802    1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355   -0.9071    0.9240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0487   -1.1082   -0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987    1.0210    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351   -1.1079   -0.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861   -0.7633    1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    0.4357    0.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6798    1.7550   -1.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    1.5379   -1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689    0.0211    2.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969   -1.6559    1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5279   -2.0702   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312   -1.3015   -0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214   -0.8415   -2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2136    0.7163    1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444    1.2748   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9086    1.8740    0.6816 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