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
2.4714 -1.0554 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3789 -0.1922 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3002 1.0745 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1742 1.9629 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7384 1.0884 0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1152 0.3854 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3399 -0.7002 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0081 -0.2635 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1102 -0.4111 -1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1875 -0.9075 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 -1.5126 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4183 -0.4855 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7720 -1.8346 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0035 1.5541 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3335 2.4666 -0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 2.6979 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5917 1.6238 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0802 0.8718 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4556 0.0187 2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4052 -1.7129 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1879 -0.4596 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6308 0.3407 -2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6462 -1.4010 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0157 -1.9951 0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0971 -0.7060 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3376 -0.4473 1.7594 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