2,2-dimethylbutane;2,2,3-trimethylbutane

C13H30 — CID 54401170

IUPAC2,2-dimethylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C7H16.C6H14/c1-6(2)7(3,4)5;1-5-6(2,3)4/h6H,1-5H3;5H2,1-4H3
InChIKeyVNNHUTQOYGWUAB-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.13
Rot. Bonds

About 2,2-dimethylbutane;2,2,3-trimethylbutane

2,2-dimethylbutane;2,2,3-trimethylbutane (PubChem CID 54401170) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 2,2-dimethylbutane;2,2,3-trimethylbutane.

Molecular Properties

Compound Name2,2-dimethylbutane;2,2,3-trimethylbutane
PubChem CID54401170
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name2,2-dimethylbutane;2,2,3-trimethylbutane
SMILESCC(C)C(C)(C)C.CCC(C)(C)C
InChIInChI=1S/C7H16.C6H14/c1-6(2)7(3,4)5;1-5-6(2,3)4/h6H,1-5H3;5H2,1-4H3
InChIKeyVNNHUTQOYGWUAB-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;2,2,3-trimethylbutane?
The IUPAC name of 2,2-dimethylbutane;2,2,3-trimethylbutane (CID 54401170) is 2,2-dimethylbutane;2,2,3-trimethylbutane.
What is the SMILES notation for 2,2-dimethylbutane;2,2,3-trimethylbutane?
The canonical SMILES for 2,2-dimethylbutane;2,2,3-trimethylbutane is CC(C)C(C)(C)C.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;2,2,3-trimethylbutane?
The InChIKey is VNNHUTQOYGWUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14/c1-6(2)7(3,4)5;1-5-6(2,3)4/h6H,1-5H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;2,2,3-trimethylbutane?
2,2-dimethylbutane;2,2,3-trimethylbutane has a molecular weight of 186.38 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;2,2,3-trimethylbutane is sourced from PubChem (CID 54401170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).