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
2.4569 -1.0797 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4008 -0.0747 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5592 1.0258 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3152 1.5696 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 1.1500 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4450 1.2108 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0687 -0.2183 0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9875 -0.3385 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3112 -0.7323 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -1.1737 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2411 -0.9249 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9656 -0.9998 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0906 -2.1330 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 1.4934 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2628 1.2161 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3706 2.6807 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8101 1.6930 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2802 1.2950 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 1.9112 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0020 -0.8792 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 -1.5697 1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0550 -0.9724 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7807 0.1121 1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1113 -0.9317 -2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7193 -2.2384 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5475 -1.0914 -1.4606 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