2,2-dimethylbutane;propane;2,3,3-trimethylpentane

C17H40 — CID 91438439

IUPAC2,2-dimethylbutane;propane;2,3,3-trimethylpentane
SMILESCCC.CCC(C)(C)C.CCC(C)(C)C(C)C
InChIInChI=1S/C8H18.C6H14.C3H8/c1-6-8(4,5)7(2)3;1-5-6(2,3)4;1-3-2/h7H,6H2,1-5H3;5H2,1-4H3;3H2,1-2H3
InChIKeyOYOYEPOSXCLGLL-UHFFFAOYSA-N
MW244.51 g/mol
LogP6.94
Rot. Bonds2

About 2,2-dimethylbutane;propane;2,3,3-trimethylpentane

2,2-dimethylbutane;propane;2,3,3-trimethylpentane (PubChem CID 91438439) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is 2,2-dimethylbutane;propane;2,3,3-trimethylpentane.

Molecular Properties

Compound Name2,2-dimethylbutane;propane;2,3,3-trimethylpentane
PubChem CID91438439
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Name2,2-dimethylbutane;propane;2,3,3-trimethylpentane
SMILESCCC.CCC(C)(C)C.CCC(C)(C)C(C)C
InChIInChI=1S/C8H18.C6H14.C3H8/c1-6-8(4,5)7(2)3;1-5-6(2,3)4;1-3-2/h7H,6H2,1-5H3;5H2,1-4H3;3H2,1-2H3
InChIKeyOYOYEPOSXCLGLL-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;hexane;2,3,3-trimethylpentane
CID 143714855
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
2,2,3,3,4,4-hexamethylpentane;2,2,3,4,4-pentamethylpentane;2,2,3,3-tetramethylbutane;2,3,3-trimethylpentane;2,3,4-trimethylpentane
CID 165099298
lithium;2,2-dimethylbutane;hydride
CID 174323452
2,2-dimethylbutane;2,3-dimethylbutane;3-methylpentane
CID 159848949
2,2-dimethylbutane;tetrakis(2,2-dimethylpropane);methane;2-methoxypropane;2,2,3-trimethylbutane
CID 160755411
2,2-dimethylbutane;2-methylbutane;pentane
CID 158103656
3,3-dimethylpentan-2-yl(methyl)phosphane
CID 123328207
3-ethyl-2,3,5-trimethylhexane
CID 53428900

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;propane;2,3,3-trimethylpentane?
The IUPAC name of 2,2-dimethylbutane;propane;2,3,3-trimethylpentane (CID 91438439) is 2,2-dimethylbutane;propane;2,3,3-trimethylpentane.
What is the SMILES notation for 2,2-dimethylbutane;propane;2,3,3-trimethylpentane?
The canonical SMILES for 2,2-dimethylbutane;propane;2,3,3-trimethylpentane is CCC.CCC(C)(C)C.CCC(C)(C)C(C)C.
What is the InChIKey of 2,2-dimethylbutane;propane;2,3,3-trimethylpentane?
The InChIKey is OYOYEPOSXCLGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C6H14.C3H8/c1-6-8(4,5)7(2)3;1-5-6(2,3)4;1-3-2/h7H,6H2,1-5H3;5H2,1-4H3;3H2,1-2H3.
What are the key properties of 2,2-dimethylbutane;propane;2,3,3-trimethylpentane?
2,2-dimethylbutane;propane;2,3,3-trimethylpentane has a molecular weight of 244.51 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;propane;2,3,3-trimethylpentane is sourced from PubChem (CID 91438439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).