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
2.5448 -0.7008 0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4032 0.0039 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 1.2831 0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1056 1.8845 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7362 0.9219 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2970 0.1779 -1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4708 -0.7370 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9719 -0.3999 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9264 -1.2462 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3156 -0.2801 1.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8131 -0.3262 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3788 -1.7976 1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 -0.5814 0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8265 1.9512 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7737 2.1715 0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1240 2.8228 -0.5299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6000 1.2845 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 -0.3382 -2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1969 0.7954 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6965 -1.7713 -0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6615 -0.6024 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4655 -1.9074 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 -1.8828 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6870 -1.2584 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1348 0.4896 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5048 0.0433 1.8986 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