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
2.4762 -1.0266 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4164 -0.2253 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 1.0909 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4109 1.7994 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 0.8412 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0094 -0.3175 1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2297 -0.8959 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0511 -0.1419 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0709 0.3908 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2799 -0.9095 0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2346 -1.2732 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9591 -0.4708 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0676 -1.9994 -1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3339 1.6519 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8302 2.2368 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0382 2.6537 -0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4835 1.3184 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7160 -0.9843 2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9208 -0.0629 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1708 -1.9756 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 -0.2889 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1495 0.5230 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6318 1.3978 -1.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0642 -0.8860 -0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7798 -0.4781 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0597 -1.9682 0.5395 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