2,2-dimethylhexane

C16H36 — CID 169424592

IUPAC2,2-dimethylhexane
SMILESCCCCC(C)(C)C.CCCCC(C)(C)C
InChIInChI=1S/2C8H18/c2*1-5-6-7-8(2,3)4/h2*5-7H2,1-4H3
InChIKeyCXFSIRLUWWQCGB-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.45
Rot. Bonds4

About 2,2-dimethylhexane

2,2-dimethylhexane (PubChem CID 169424592) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is 2,2-dimethylhexane.

Molecular Properties

Compound Name2,2-dimethylhexane
PubChem CID169424592
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Name2,2-dimethylhexane
SMILESCCCCC(C)(C)C.CCCCC(C)(C)C
InChIInChI=1S/2C8H18/c2*1-5-6-7-8(2,3)4/h2*5-7H2,1-4H3
InChIKeyCXFSIRLUWWQCGB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2,2-dimethylhexane
CID 161105081
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
2,2-dimethylnonane;fluoromethane
CID 158057771
2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
2,2-dimethylnonadecane;oxosilane
CID 158610214
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
(E)-10,10-dimethylundec-5-ene
CID 142794628
dichlorozinc;2,2-dimethyloctane
CID 174281549
2,2,6,7-tetramethylundecane
CID 123602815
1-butoxy-5,5-dimethylhexane
CID 134574772

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexane?
The IUPAC name of 2,2-dimethylhexane (CID 169424592) is 2,2-dimethylhexane.
What is the SMILES notation for 2,2-dimethylhexane?
The canonical SMILES for 2,2-dimethylhexane is CCCCC(C)(C)C.CCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylhexane?
The InChIKey is CXFSIRLUWWQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18/c2*1-5-6-7-8(2,3)4/h2*5-7H2,1-4H3.
What are the key properties of 2,2-dimethylhexane?
2,2-dimethylhexane has a molecular weight of 228.46 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexane is sourced from PubChem (CID 169424592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).