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
2.6348 0.8822 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 0.0986 -0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -0.7960 -1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2287 -1.5635 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 -1.1661 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1581 -1.1474 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4842 0.2806 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9578 0.3383 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8569 0.7921 1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2078 1.1010 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9605 1.0519 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4536 0.3550 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 1.8466 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6673 -1.0165 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8598 -1.4492 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0839 -2.6340 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7809 -1.7179 0.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2625 -1.1939 2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0119 -1.8290 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 0.9691 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3653 0.6420 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0015 1.8954 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8503 0.2617 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7558 2.1141 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3132 1.2648 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8695 0.6199 -1.8512 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