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
-2.4037 -1.4040 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4170 -0.3305 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5893 0.5621 0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3905 1.3371 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6817 1.2757 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0072 1.3373 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2014 -0.1672 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0585 -0.1435 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0193 -1.1393 1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -0.1959 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -2.3048 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -1.0603 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7780 -1.7228 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5533 0.7416 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7182 2.3964 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0203 0.9509 2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 1.9882 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9035 1.9363 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7744 1.5275 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1496 -0.7533 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0759 -2.1577 0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9010 -1.0548 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0852 -1.1038 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7200 0.8343 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1454 -0.7237 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 -0.6259 -1.9039 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