Monomers
3,3-Dimethyl-1-butene
Identifiers
IUPAC name
3,3-dimethylbut-1-ene
InchI
InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3
InchI Key
PKXHXOTZMFCXSH-UHFFFAOYSA-N
SMILES
C=CC(C)(C)C
Canonical SMILES
CC(C)(C)C=C
Isomeric SMILES
CC(C)(C)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H12
Heavy Atom Count
6
Molecular Weight
84.162
Exact Molecular Weight
84.0939
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.2185
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
18 17 0 0 0 0 0 0 0 0999 V2000
2.1829 -0.4027 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 0.0490 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 0.0460 0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5249 -0.6611 -1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6366 1.5101 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9765 -0.5756 1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9717 -0.8003 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2102 -0.3719 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4626 0.4516 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6090 -0.9754 -1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5047 0.0612 -2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 -1.5401 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0774 1.9137 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 1.4871 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 2.0468 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7205 -1.6497 1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0739 -0.4680 1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -0.1207 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
3 5 1 0
3 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
4 10 1 0
4 11 1 0
4 12 1 0
5 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
6 18 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers