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
   -3.1181   -0.6236    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1871    0.2801    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7230    1.3589   -0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7611   -0.0235    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1488    0.6642   -0.4445 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357    0.0611   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1132   -1.3456    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576   -1.1420    0.7178 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908    0.6792    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2179    0.0610   -1.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7840   -1.6889    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121   -0.5868    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087   -0.3123    2.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294    2.0063   -0.8206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7602    1.5992   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652   -1.7121    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9639   -2.0397   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582    0.1428    0.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563    0.5586    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    1.7308    0.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6097   -0.2076   -2.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    1.0550   -1.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610   -0.6520   -1.4993 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