tetrakis(2,2-dimethylbutane);methane

C28H72 — CID 158609630

IUPACtetrakis(2,2-dimethylbutane);methane
SMILESC.C.C.C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/4C6H14.4CH4/c4*1-5-6(2,3)4;;;;/h4*5H2,1-4H3;4*1H4
InChIKeyHWRAONYDLBWCRT-UHFFFAOYSA-N
MW408.88 g/mol
LogP12.31
Rot. Bonds

About tetrakis(2,2-dimethylbutane);methane

tetrakis(2,2-dimethylbutane);methane (PubChem CID 158609630) has the molecular formula C28H72 and a molecular weight of 408.88 g/mol. Its IUPAC name is tetrakis(2,2-dimethylbutane);methane.

Molecular Properties

Compound Nametetrakis(2,2-dimethylbutane);methane
PubChem CID158609630
Molecular FormulaC28H72
Molecular Weight408.88 g/mol
Exact Mass408.56
IUPAC Nametetrakis(2,2-dimethylbutane);methane
SMILESC.C.C.C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/4C6H14.4CH4/c4*1-5-6(2,3)4;;;;/h4*5H2,1-4H3;4*1H4
InChIKeyHWRAONYDLBWCRT-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.88
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentakis(2,2-dimethylbutane);methane
CID 161368616
bis(2,2-dimethylbutane);tungsten
CID 157126936
lithium;2,2-dimethylbutane;hydride
CID 174323452
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
2,2-dimethylbutane;2,3-dimethylpentane;methane;bis(2-methylbutane)
CID 158330539
bis(2,2-dimethylpentane);methane
CID 159859974
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,2-dimethylbutane);methane?
The IUPAC name of tetrakis(2,2-dimethylbutane);methane (CID 158609630) is tetrakis(2,2-dimethylbutane);methane.
What is the SMILES notation for tetrakis(2,2-dimethylbutane);methane?
The canonical SMILES for tetrakis(2,2-dimethylbutane);methane is C.C.C.C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.
What is the InChIKey of tetrakis(2,2-dimethylbutane);methane?
The InChIKey is HWRAONYDLBWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H14.4CH4/c4*1-5-6(2,3)4;;;;/h4*5H2,1-4H3;4*1H4.
What are the key properties of tetrakis(2,2-dimethylbutane);methane?
tetrakis(2,2-dimethylbutane);methane has a molecular weight of 408.88 g/mol, XLogP of 12.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2-dimethylbutane);methane is sourced from PubChem (CID 158609630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).