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
2.6962 0.9241 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4402 0.1350 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1672 -0.6581 1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0245 -1.5528 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8803 -1.1501 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0133 -1.1725 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4248 0.2456 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9849 0.3279 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1564 1.1958 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9579 0.6169 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3829 0.7612 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1605 0.5838 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 1.9838 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 -0.6975 2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4136 -2.5651 0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5666 -1.6820 2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8087 -1.7030 -0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5847 -1.1531 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8387 -1.8882 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6412 0.9292 -1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3180 0.5992 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3182 1.9285 1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0703 1.8177 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4548 -0.2850 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7736 1.3087 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4566 1.1503 -2.1695 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