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
2.3142 1.1279 1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 0.2714 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5816 -1.0347 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4551 -1.8519 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6023 -0.9857 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 0.0860 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 0.8537 -0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0578 0.1405 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2624 0.8299 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2237 -0.1797 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3884 2.1412 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0632 1.2125 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3720 0.7360 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5183 -1.5209 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0638 -2.5383 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8558 -2.5025 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3788 -1.4963 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4511 0.5661 -2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1144 -0.2483 -2.0959 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1814 1.9300 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2010 0.3066 -0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 1.8314 -0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2344 1.0430 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7939 0.6470 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3167 -0.2155 1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8086 -1.1495 1.7511 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