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
    3.1847   -0.5032    0.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    0.2742   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4762    1.2079   -1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7211   -0.0157    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2362    0.5981   -0.5795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5001    0.0176   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -0.5534    1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.9770    0.8902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9102   -1.0859   -0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5180    1.0771    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695    0.1903    1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -1.3819    1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9845   -0.7750   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    1.7465   -1.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    1.4457   -1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662    0.2205    2.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529   -1.4519    1.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079   -1.7084   -0.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2472   -0.6563   -1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0321   -1.7325   -1.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    2.0731    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    1.0404   -0.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9845    0.9499    1.1510 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