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
2.4428 -0.8594 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2924 -0.0451 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 1.0074 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3560 1.7502 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7686 1.1050 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4846 0.8604 1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6328 -0.4326 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8806 -0.3995 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5321 -0.9544 1.6855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4310 -0.9268 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3818 -0.5715 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -0.7152 -2.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 -1.9446 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2023 1.3606 -2.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0065 2.7856 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 1.8639 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5546 1.6171 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2184 0.6306 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2895 1.5945 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0547 -1.2775 1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7862 -1.4862 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4095 -1.5787 1.4425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9301 -0.1318 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2733 -1.6244 -0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6870 -1.4939 -1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8316 -0.1337 -1.5023 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