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
2.3780 1.5216 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3311 0.4882 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 -0.1062 1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1165 -1.1537 1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5912 -1.2864 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4309 -1.4269 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4690 0.1107 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9596 0.0418 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3642 1.1207 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9954 -0.1718 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3905 1.0548 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 2.0284 -0.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2927 2.2445 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7371 0.1045 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6408 -0.9029 2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6407 -2.1056 1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3656 -2.0533 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3885 -1.8551 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0038 -1.8524 -1.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6355 0.5581 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9311 1.8879 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0459 0.7900 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5310 1.6504 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9423 -1.1901 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9125 0.5596 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9905 -0.0569 -0.9994 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