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
2.4921 -1.1557 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3882 -0.2227 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2526 0.9515 -0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1688 1.8952 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7745 1.1988 0.5145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0756 0.6210 1.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3065 -0.5738 0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0006 -0.2251 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 -0.9320 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0087 -0.4416 -1.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0973 -2.0550 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 -1.5484 0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3500 -0.7640 -0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9239 1.2180 -1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 2.7101 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3784 2.3071 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6460 1.7641 0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0107 1.2073 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4972 0.4439 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3606 -1.5456 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0947 -0.3649 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -1.9130 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9122 -1.1075 1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 -1.1524 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2499 0.5481 -1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0829 -0.8634 -1.8283 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