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
    2.6823   -1.4021    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -0.0275    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815    0.9551    0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7852    0.2354    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1426   -0.6566    0.2011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4199   -0.0367   -0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0549    1.3846   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819    1.4924   -0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0772   -0.6952   -1.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    0.0268    1.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -1.5792    0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772   -1.4976    1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -2.1838    0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111    0.7322    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    1.9785    0.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442    2.1380    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228    1.5357   -1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3615   -0.6702   -2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3523   -1.7452   -1.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9884   -0.1126   -1.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8520   -0.2850    2.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2128   -0.6562    0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.0691    1.1978 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