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
2.6458 -0.9299 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 -0.0720 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4239 1.1449 0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1160 1.8747 0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8909 1.1031 -0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2024 0.5877 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2788 -0.5743 -0.7433 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9816 -0.3442 0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2019 -1.0247 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 -0.6033 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8771 -1.4471 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5401 -0.3781 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4142 -1.7114 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2596 1.6502 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2593 2.1197 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2891 2.8387 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8279 1.5978 -0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8893 0.1852 -2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 1.2474 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3533 -1.5287 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0451 -0.7829 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 -2.1325 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5055 -0.6526 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 -0.5490 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5109 -1.6771 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1359 0.0585 2.0613 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