pentakis(2,2-dimethylbutane);methane

C31H74 — CID 161368616

IUPACpentakis(2,2-dimethylbutane);methane
SMILESC.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/5C6H14.CH4/c5*1-5-6(2,3)4;/h5*5H2,1-4H3;1H4
InChIKeyVQDWSFXFKMTWIE-UHFFFAOYSA-N
MW446.93 g/mol
LogP12.85
Rot. Bonds

About pentakis(2,2-dimethylbutane);methane

pentakis(2,2-dimethylbutane);methane (PubChem CID 161368616) has the molecular formula C31H74 and a molecular weight of 446.93 g/mol. Its IUPAC name is pentakis(2,2-dimethylbutane);methane.

Molecular Properties

Compound Namepentakis(2,2-dimethylbutane);methane
PubChem CID161368616
Molecular FormulaC31H74
Molecular Weight446.93 g/mol
Exact Mass446.58
IUPAC Namepentakis(2,2-dimethylbutane);methane
SMILESC.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C
InChIInChI=1S/5C6H14.CH4/c5*1-5-6(2,3)4;/h5*5H2,1-4H3;1H4
InChIKeyVQDWSFXFKMTWIE-UHFFFAOYSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(2,2-dimethylbutane);methane
CID 158609630
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 pentakis(2,2-dimethylbutane);methane?
The IUPAC name of pentakis(2,2-dimethylbutane);methane (CID 161368616) is pentakis(2,2-dimethylbutane);methane.
What is the SMILES notation for pentakis(2,2-dimethylbutane);methane?
The canonical SMILES for pentakis(2,2-dimethylbutane);methane is C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.CCC(C)(C)C.
What is the InChIKey of pentakis(2,2-dimethylbutane);methane?
The InChIKey is VQDWSFXFKMTWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H14.CH4/c5*1-5-6(2,3)4;/h5*5H2,1-4H3;1H4.
What are the key properties of pentakis(2,2-dimethylbutane);methane?
pentakis(2,2-dimethylbutane);methane has a molecular weight of 446.93 g/mol, XLogP of 12.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2,2-dimethylbutane);methane is sourced from PubChem (CID 161368616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).