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
    2.8241    1.1581   -0.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485   -0.0963   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725   -1.0550    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -0.2523    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1093    0.5817   -0.2808 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302    0.1088   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200   -1.3736    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1740   -1.3734    0.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3355    0.1782   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.7932    1.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0830    1.9452   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    1.4929    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788    0.9178   -1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -0.9081    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6273   -1.9649    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -1.6169    1.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4889   -2.0115   -0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9901   -0.5383   -2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3982    1.2156   -1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3298   -0.2073   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0295    1.3273    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169    0.1035    1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    1.5754    1.5181 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