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
2.2167 1.7254 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3653 0.5227 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7006 -0.6602 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6731 -1.6989 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5567 -1.3463 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -0.7669 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 0.5570 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0703 0.0391 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9840 0.4976 1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3847 0.2690 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 2.5710 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7383 1.9464 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0494 1.4809 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7033 -0.8664 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 -1.9940 1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0917 -2.6319 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2876 -2.1308 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8811 -1.2171 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8642 -0.6749 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1681 1.4488 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8884 1.1398 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9432 -0.2972 2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1046 1.1864 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8362 -0.6959 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1439 0.7090 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2666 0.8872 -1.5265 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