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
2.6242 0.8403 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4145 0.0829 0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.0816 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0722 -1.8508 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 -1.0873 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2115 -0.6030 -1.5708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4504 0.5823 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 0.3854 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2747 0.6618 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 1.0380 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5138 0.1788 0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 1.5697 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5260 1.4144 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7377 -1.5076 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7096 -2.1769 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3365 -2.7777 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 -1.5617 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2818 -0.2253 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0774 -1.2591 -1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 1.5224 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7524 1.6768 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -0.0494 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.6336 1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2468 0.3618 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4551 1.9427 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8900 1.2895 -0.5960 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