2,2-dimethylbutane;3,3-dimethylpentane

C13H30 — CID 160500141

IUPAC2,2-dimethylbutane;3,3-dimethylpentane
SMILESCCC(C)(C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.C6H14/c1-5-7(3,4)6-2;1-5-6(2,3)4/h5-6H2,1-4H3;5H2,1-4H3
InChIKeyQRRGRAHTWCFSSG-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds2

About 2,2-dimethylbutane;3,3-dimethylpentane

2,2-dimethylbutane;3,3-dimethylpentane (PubChem CID 160500141) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 2,2-dimethylbutane;3,3-dimethylpentane.

Molecular Properties

Compound Name2,2-dimethylbutane;3,3-dimethylpentane
PubChem CID160500141
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name2,2-dimethylbutane;3,3-dimethylpentane
SMILESCCC(C)(C)C.CCC(C)(C)CC
InChIInChI=1S/C7H16.C6H14/c1-5-7(3,4)6-2;1-5-6(2,3)4/h5-6H2,1-4H3;5H2,1-4H3
InChIKeyQRRGRAHTWCFSSG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936
3,3-dimethylpentane;ethane;methanol
CID 144527462
lithium;2,2-dimethylbutane;hydride
CID 174323452
2,2-dimethylbutane;2,2-dimethylbutylphosphane;3,3-dimethylpentane;(2-ethyl-2-methylbutyl)phosphane;3-ethyl-3-methylpentane;[2-methyl-2-(phosphanylmethyl)butyl]phosphane
CID 157276968
azane;2,2-dimethylbutane;propane-1,3-diamine
CID 173127451
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;3,3-dimethylpentane?
The IUPAC name of 2,2-dimethylbutane;3,3-dimethylpentane (CID 160500141) is 2,2-dimethylbutane;3,3-dimethylpentane.
What is the SMILES notation for 2,2-dimethylbutane;3,3-dimethylpentane?
The canonical SMILES for 2,2-dimethylbutane;3,3-dimethylpentane is CCC(C)(C)C.CCC(C)(C)CC.
What is the InChIKey of 2,2-dimethylbutane;3,3-dimethylpentane?
The InChIKey is QRRGRAHTWCFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C6H14/c1-5-7(3,4)6-2;1-5-6(2,3)4/h5-6H2,1-4H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;3,3-dimethylpentane?
2,2-dimethylbutane;3,3-dimethylpentane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;3,3-dimethylpentane is sourced from PubChem (CID 160500141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).