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
2.1861 1.2804 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3290 0.3469 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 -0.0339 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7086 -0.8505 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -1.1093 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0707 -1.6714 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0629 -0.2061 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0257 0.0868 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9416 1.4088 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.1740 -0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 0.6503 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8139 1.9075 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 1.9730 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6034 0.2244 1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5272 -0.4599 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2106 -1.8531 1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3013 -1.7000 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9061 -2.1977 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 -2.1925 -1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1634 0.0038 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5489 2.1348 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0514 1.8352 0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3962 1.3619 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1465 0.5323 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3319 -0.0856 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 -1.2120 -0.3737 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