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
2.5775 -1.1048 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4435 -0.1410 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5320 0.7974 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2239 1.4194 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8234 1.1815 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1861 1.2831 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2420 -0.1748 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0146 -0.2853 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 -1.2279 1.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2658 -0.4870 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2844 -2.0170 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9719 -1.3769 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3730 -0.5750 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4710 1.1111 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3758 2.4887 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0611 0.9359 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7284 1.7702 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6303 1.9968 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9790 1.3183 -1.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2628 -0.7848 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0378 -1.0439 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.2675 1.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7359 -2.2580 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7409 0.4819 -1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0552 -1.0464 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0037 -0.9939 -1.8505 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