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
    3.2545   -0.1194    0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1768    0.0729   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976    0.3351   -1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7595   -0.0244    0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2228    0.1286   -0.6800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -0.0325    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -0.6662    1.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -0.2944    1.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4569   -0.8977   -0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530    1.3483    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2109    0.2369    0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3139   -1.1671    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951    0.5758    1.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5428    0.4067   -1.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7097    0.4767   -2.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313   -0.3297    2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0675   -1.7753    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709   -1.6022   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2742   -0.2376   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857   -1.5093   -1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024    1.6588   -0.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764    2.1030    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    1.3132    1.0075 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