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
2.5192 1.2579 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4047 0.3048 -0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3332 -0.4072 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 -1.3118 -1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7627 -1.2320 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1186 -1.3815 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3435 0.1317 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0392 0.1504 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2035 1.2236 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1257 0.1774 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4897 0.8575 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 2.2353 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7187 1.4094 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0842 -0.3538 -2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3176 -1.1531 -2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5650 -2.3692 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5816 -1.9378 -0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4499 -1.6040 1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0302 -1.9555 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4402 0.6719 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1582 2.2115 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2339 1.1856 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4355 1.2821 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3471 -0.8319 1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0593 0.5481 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8157 0.8906 2.0479 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