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
2.6006 1.0147 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4149 0.1261 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2786 -0.9058 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0599 -1.7173 -0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9145 -1.1794 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 -0.9796 1.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2884 0.3718 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9818 0.3205 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9151 0.8150 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1057 0.9791 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4770 1.8453 -0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7437 1.4244 0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4913 0.4440 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0646 -1.1399 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3613 -2.7384 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3997 -1.8892 -1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8403 -1.7227 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7961 -0.9082 2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7086 -1.7007 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4134 1.1218 1.6316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6571 1.6309 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 1.2673 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 -0.0085 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7827 2.0299 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3373 0.5183 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 0.9806 0.1561 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