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
2.0720 -1.9154 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -0.6671 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5663 0.2297 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7489 1.4542 1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3761 1.4075 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2254 1.0807 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1168 -0.3839 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 0.0527 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1622 -0.6707 1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3615 0.1711 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1240 -1.6005 -0.3482 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6788 -2.5617 -0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0787 -2.4049 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3980 0.0893 1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3973 2.3137 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3672 1.6420 2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0114 2.2822 -0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 1.3404 -2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2686 1.3761 -1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0937 -1.0982 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2954 -1.2968 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -1.3847 1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4088 -0.0206 2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9529 1.0059 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9383 -0.7793 -0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2105 0.3383 -1.8892 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