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
-2.4224 -1.3622 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3996 -0.3325 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3589 0.8458 0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2492 1.8242 0.6553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6466 1.2606 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2600 0.7353 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3312 -0.5607 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 -0.1850 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2769 -0.5558 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.6322 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6309 -1.3683 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -2.3370 0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3828 -1.1816 0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1132 1.1515 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3436 2.0348 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7287 2.7442 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4297 1.9081 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2725 0.6089 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2249 1.2577 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3974 -1.4547 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6867 -0.0059 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3512 -0.3496 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1484 -1.6476 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 -1.6600 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0065 0.0547 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7520 -0.7927 -2.1016 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