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
-2.5955 -1.0198 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4366 -0.2261 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3745 0.1850 1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1581 0.8921 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8193 1.0643 0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 1.6203 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2953 0.1562 -0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0176 -0.1848 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0120 -1.4743 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2077 -0.0064 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3129 -1.7396 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0838 -1.5616 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3664 -0.3022 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2193 -0.0107 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2895 0.3389 2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 1.9009 2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7210 1.6235 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8277 2.2276 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7079 2.0170 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3602 -0.0886 -1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5985 -1.4535 1.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0005 -1.8652 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5479 -2.2300 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0934 -0.5444 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5079 1.0734 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9417 -0.3918 -2.1508 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