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
2.5277 -0.7249 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3931 -0.0175 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 1.2598 0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0429 1.9292 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6718 0.9398 -0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 0.1407 -1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 -0.7525 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9767 -0.3433 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9320 -1.1839 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3816 -0.2435 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1933 -1.1873 0.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1658 -1.5950 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2053 -0.0735 1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7642 1.9216 1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 2.2248 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2932 2.7993 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4478 1.3214 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2772 0.6839 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0842 -0.3863 -2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6515 -1.7990 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6114 -0.4708 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4287 -1.7959 -1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5148 -1.8268 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 0.0975 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6656 -1.2786 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3129 0.3607 1.3443 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