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
2.7033 -0.5945 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4571 0.0363 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2436 1.3304 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0684 1.9520 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8683 0.8848 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0183 0.0628 -1.6951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -0.7497 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9835 -0.3897 0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0152 -1.3188 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1166 -0.2179 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4387 -0.7448 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5624 -1.5735 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2117 0.0909 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9564 2.0116 0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1234 2.7505 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 2.3593 0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7710 1.2027 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5892 -0.5762 -2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8418 0.6157 -2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5884 -1.8024 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5628 -2.3200 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4589 -0.9191 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8824 -1.4498 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1568 0.1159 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0386 -1.2346 1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4121 0.4782 1.9942 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