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
1.9520 1.8511 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3159 0.5806 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8229 -0.1659 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 -0.9939 -1.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3476 -1.3137 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1898 -1.4806 0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0652 0.0477 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0475 -0.0779 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2122 1.0451 -0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3438 -0.4150 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0326 1.7875 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5560 2.7370 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8834 1.9776 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8872 -0.1748 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3591 -1.9619 -1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5817 -0.5461 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9757 -2.1493 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4606 -2.0369 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2241 -1.8178 0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1855 0.4387 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 0.9805 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 2.0015 -0.3922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5329 1.0758 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 -1.3905 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5796 0.3771 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1991 -0.3760 -0.0847 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