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
2.5251 1.1845 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4427 0.2092 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5445 -0.5840 -0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2675 -1.1849 -1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 -1.1765 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0721 -1.4538 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2354 0.0526 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 0.2083 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2346 0.2198 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0431 1.3186 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3512 0.7125 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9921 1.5160 -0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 2.0749 0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5020 -0.7988 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4417 -2.2152 -1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 -0.6053 -2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6297 -1.8285 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 -2.0839 0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7586 -1.7145 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 0.5081 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9762 -0.5411 0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9614 0.0184 2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7262 1.2114 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8791 2.2756 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2483 1.2698 -1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0656 1.4068 -1.2686 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