Monomers

alpha-Pinene

Identifiers

IUPAC name
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
InchI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InchI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
SMILES
CC1=CCC2CC1C2(C)C
Canonical SMILES
CC1=CCC2CC1C2(C)C
Isomeric SMILES
CC1=CCC2CC1C2(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16
Heavy Atom Count
10
Molecular Weight
136.238
Exact Molecular Weight
136.1252
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
2.9987
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
3
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
3
Aromatic Rings
0

MOL File


     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.7421   -0.1202    0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    0.1296    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914    1.2806   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821    1.5204   -1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    0.2484   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1069   -0.9633   -1.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148   -0.9220    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9293   -0.3209    0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367   -1.3005    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221    0.7117    1.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566   -0.3387   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026    0.8168    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174   -0.9371    1.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8939    2.1018   -0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0922    1.7750   -2.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5974    2.3566   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    0.1859   -1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6787   -1.8689   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029   -0.7471   -2.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6581   -1.8823    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722   -2.2330   -0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9647   -0.8403    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947   -1.4623    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.1870    2.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    1.4134    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351    1.2097    1.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  7  2  1  0
  8  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers