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
2.5456 -1.0246 0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 -0.1552 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2297 0.9695 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0260 1.8130 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7680 1.1588 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2175 0.7611 -1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 -0.5284 -0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 -0.3107 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0075 -0.8485 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2981 -0.7699 1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0148 -0.7170 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3324 -0.8831 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2889 -2.0990 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8855 1.3567 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 2.0214 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3470 2.8107 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 1.7380 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1268 1.3981 -1.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2045 0.6156 -2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6014 -1.4187 -1.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 -0.4783 -2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9251 -1.9743 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0282 -0.6111 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 -0.1271 1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 -0.9203 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8163 -1.7767 1.3027 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