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
2.4733 -0.4676 -1.3332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3864 -0.0174 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4274 1.1192 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4496 1.2752 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6228 0.2266 1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 -1.1449 1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 -0.8698 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0766 -0.0249 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1481 1.1663 -1.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2706 -0.9406 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2225 -0.3082 -2.3956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4277 0.0788 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7001 -1.5383 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1251 1.9270 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 1.0519 2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0566 2.2889 1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4058 0.3306 2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6977 -1.9844 1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9659 -1.2502 1.7815 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0992 -1.7395 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1508 1.1694 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 2.1268 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 1.0452 -1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0377 -1.9471 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7119 -1.0776 0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0913 -0.4956 -0.7749 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