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
2.4416 1.2285 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4393 0.1890 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 -1.0205 0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 -1.7869 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7716 -1.2074 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0786 -0.7955 -1.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3396 0.5023 -0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9941 0.2781 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1332 0.8466 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0953 0.6300 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4437 0.8080 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6044 1.8604 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0884 1.8796 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3051 -1.4634 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -2.8202 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3162 -1.8982 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6503 -1.8017 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4985 -0.5544 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9414 -1.4487 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 1.3868 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5473 0.0558 -1.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7433 1.6980 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9283 1.2251 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9759 1.7146 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3662 0.1186 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1336 0.3755 1.6497 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