Compound Summary for: CID 54081983

Molecular Formula: C20H42   Molecular Weight: 282.54748   InChIKey: GGYKPYDKXLHNTI-FXJNCMGBSA-N
Compound Information
CID 54081983
Create Date: 2011-12-04
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 282.54748 [g/mol]
Molecular FormulaC20H42
XLogP3-AA9.9
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count13
Exact Mass282.328651
MonoIsotopic Mass282.328651
Topological Polar Surface Area0
Heavy Atom Count20
Formal Charge0
Complexity194
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Hydrophobe Count5
Effective Rotor Count13
Conformer Sampling RMSD1.4
CID Conformer Count115
Descriptors
IUPAC Name(6R,10R)-2,6,10,14-tetramethylhexadecane
InChIInChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3/t18?,19-,20-/m1/s1
InChIKeyGGYKPYDKXLHNTI-FXJNCMGBSA-N
Canonical SMILESCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Isomeric SMILESCCC(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C
Old Version Substance Information