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
    2.8482   -0.1452   -1.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0803    0.4281   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    1.3281    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -0.0037   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698    0.4060    0.6773 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462   -0.2676    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0194   -1.4760   -0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457   -0.9444   -1.0165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3744    0.5442   -0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687   -0.6570    1.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3422    0.6449   -2.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -0.6302   -2.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5672   -0.9223   -1.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    1.6331    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318    1.7572    1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8260   -1.7616   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6013   -2.3121    0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.1242   -0.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7365    1.4108    0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9655    0.8332   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1144   -0.4317    2.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826   -1.7353    1.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7749   -0.0768    2.2233 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