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
2.5871 0.9564 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4836 0.0897 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5243 -0.6297 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2440 -1.1519 -1.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8155 -1.1160 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1820 -1.4628 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2443 0.0158 0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9951 0.2706 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9361 1.3917 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2081 0.3542 0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4513 0.9501 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1928 1.9940 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9208 0.6799 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4505 -0.8350 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0613 -0.5087 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 -2.1871 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7233 -1.6797 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9341 -1.6800 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6462 -2.1720 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3031 0.4590 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0388 1.3849 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9816 2.3423 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8798 1.3544 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8593 -0.5294 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8527 1.2437 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9235 0.4658 2.0349 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