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
2.4150 -1.3977 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4033 -0.3554 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 0.3276 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1861 1.1130 -1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6955 1.2474 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2037 1.4729 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3527 -0.0566 0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.1020 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2589 -1.2041 -0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0888 -0.0197 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4653 -1.7128 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2624 -2.2499 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4454 -1.0083 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2657 0.3414 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4647 2.1408 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3537 0.6736 -2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5151 1.9531 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3198 1.8510 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1533 1.9859 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.4913 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5021 -1.2673 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3501 -2.1524 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2305 -1.0059 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7345 0.3748 2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9508 0.5877 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4661 -1.0457 1.5298 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