bis(2,2-dimethylpropane);ethane;methane

C17H46 — CID 161072251

IUPACbis(2,2-dimethylpropane);ethane;methane
SMILESC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C5H12.3C2H6.CH4/c2*1-5(2,3)4;3*1-2;/h2*1-4H3;3*1-2H3;1H4
InChIKeyUEUSYBPTIGFKLB-UHFFFAOYSA-N
MW250.55 g/mol
LogP7.82
Rot. Bonds

About bis(2,2-dimethylpropane);ethane;methane

bis(2,2-dimethylpropane);ethane;methane (PubChem CID 161072251) has the molecular formula C17H46 and a molecular weight of 250.55 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);ethane;methane.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);ethane;methane
PubChem CID161072251
Molecular FormulaC17H46
Molecular Weight250.55 g/mol
Exact Mass250.36
IUPAC Namebis(2,2-dimethylpropane);ethane;methane
SMILESC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C5H12.3C2H6.CH4/c2*1-5(2,3)4;3*1-2;/h2*1-4H3;3*1-2H3;1H4
InChIKeyUEUSYBPTIGFKLB-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.55
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropane;ethane;methane
CID 157153388
bis(2,2-dimethylpropane);ethane;methane;bis(2,2,3,3-tetramethylbutane)
CID 160526699
2,2-dimethylpropane;ethane;ethene
CID 143720811
CID 162002766
CID 162002766
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692
2,2-dimethylpropane;meitnerium;methane;methanolate
CID 161068030
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
ethane;methane
CID 157303313
ethane;methane
CID 159598095
ethane;methane
CID 159981961
ethane;methane
CID 162236350

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);ethane;methane?
The IUPAC name of bis(2,2-dimethylpropane);ethane;methane (CID 161072251) is bis(2,2-dimethylpropane);ethane;methane.
What is the SMILES notation for bis(2,2-dimethylpropane);ethane;methane?
The canonical SMILES for bis(2,2-dimethylpropane);ethane;methane is C.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropane);ethane;methane?
The InChIKey is UEUSYBPTIGFKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.3C2H6.CH4/c2*1-5(2,3)4;3*1-2;/h2*1-4H3;3*1-2H3;1H4.
What are the key properties of bis(2,2-dimethylpropane);ethane;methane?
bis(2,2-dimethylpropane);ethane;methane has a molecular weight of 250.55 g/mol, XLogP of 7.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);ethane;methane is sourced from PubChem (CID 161072251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).