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
2.4216 1.1485 -0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4177 0.1693 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3607 -1.0952 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0501 -1.8183 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7534 -1.1997 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 -0.7183 1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3896 0.5335 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0118 0.2633 0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0326 0.9150 1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2182 0.6116 -1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9696 1.9449 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9668 1.6408 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1636 0.5979 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -1.5927 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4840 -1.8758 -1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -2.8783 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5914 -1.7736 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -1.3723 1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2784 -0.5146 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5365 1.4587 1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6383 0.9460 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1404 1.9655 0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0288 0.4451 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5267 0.1304 -1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2662 0.3606 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0912 1.7076 -1.3605 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