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
2.7177 0.8221 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4462 0.0752 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2409 -1.1319 0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0593 -1.9186 0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 -1.0215 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0939 -0.3976 -1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3262 0.6662 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 0.3692 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9841 0.4941 1.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1623 1.0991 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4771 1.8660 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3251 0.7976 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3603 0.3339 1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 -1.5352 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 -2.5212 1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4561 -2.6553 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 -1.4714 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 -0.0331 -2.4781 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7622 -0.9977 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4625 1.6651 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6574 -0.2921 1.9641 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0051 0.5044 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4640 1.4704 1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0281 2.1726 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0501 0.7513 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3093 0.8884 -1.5931 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