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
    3.2014   -0.5868   -0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2084    0.3309   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    1.4443    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7583   -0.0262   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093    0.6526    0.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4702    0.0194    0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1581   -0.9907   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.1655   -0.6582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860   -0.6565    1.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    0.9814   -0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914   -1.4723    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6927   -1.0128   -1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281   -0.0730   -0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506    2.1096    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6028    1.7378    0.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3696   -0.6348   -1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218   -1.9886   -0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9665   -1.0329    2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -1.4608    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3174    0.1418    2.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2753    0.4578   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322    1.8916   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0802    1.3337    0.6935 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