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
2.2945 1.5704 -0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 0.4694 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5396 -0.7123 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -1.6486 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4979 -1.2963 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2817 -0.7506 1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2791 0.5876 0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0433 0.1300 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1683 0.3850 1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3135 0.4854 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3140 1.3830 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9612 2.5454 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4128 1.6042 -1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4991 -0.9880 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6879 -2.7055 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1285 -1.5643 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3151 -1.9815 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2798 -1.1868 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3651 -0.7465 2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2643 1.4725 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7129 -0.5694 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8081 0.7721 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9170 1.0849 0.6792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4354 0.5297 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8728 1.4301 -1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0002 -0.3000 -1.6423 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