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
-2.4100 1.3925 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3772 0.3552 -0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4152 -0.8184 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 -1.8475 -0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 -1.2357 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0103 -0.6527 1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1875 0.6043 0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.1941 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8662 0.5115 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3476 0.6148 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2169 2.0773 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4133 2.0246 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4496 0.9688 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2153 -1.0671 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7579 -2.7381 0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 -2.2356 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5636 -1.8671 0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6574 -0.5218 2.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9311 -1.1642 1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 1.5489 1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8505 0.8806 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 1.3446 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6146 -0.3796 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3710 0.3460 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1304 -0.0213 0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5263 1.6860 0.4115 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