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
2.2297 1.7020 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4145 0.4556 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7400 -0.6104 0.6308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5722 -1.4321 1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5425 -1.3588 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1002 -1.1856 -1.2703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 0.3097 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0407 0.0711 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 0.1433 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1213 0.8303 1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2226 1.4901 0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7093 2.4600 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2209 2.1161 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7624 -0.8778 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 -1.0481 2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9135 -2.4871 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3109 -2.1240 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0859 -1.6553 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 -1.4308 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0574 0.9855 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0889 0.1388 -1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0359 -0.6301 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7684 1.1391 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 0.0993 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9921 1.5494 1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1906 1.3499 1.4817 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