2,2-dimethylhexane;2,4-dimethylpentane;ethane

C19H46 — CID 145269635

IUPAC2,2-dimethylhexane;2,4-dimethylpentane;ethane
SMILESCC.CC.CC(C)CC(C)C.CCCCC(C)(C)C
InChIInChI=1S/C8H18.C7H16.2C2H6/c1-5-6-7-8(2,3)4;1-6(2)5-7(3)4;2*1-2/h5-7H2,1-4H3;6-7H,5H2,1-4H3;2*1-2H3
InChIKeyCRYLTKPVHLWAAJ-UHFFFAOYSA-N
MW274.58 g/mol
LogP7.96
Rot. Bonds4

About 2,2-dimethylhexane;2,4-dimethylpentane;ethane

2,2-dimethylhexane;2,4-dimethylpentane;ethane (PubChem CID 145269635) has the molecular formula C19H46 and a molecular weight of 274.58 g/mol. Its IUPAC name is 2,2-dimethylhexane;2,4-dimethylpentane;ethane.

Molecular Properties

Compound Name2,2-dimethylhexane;2,4-dimethylpentane;ethane
PubChem CID145269635
Molecular FormulaC19H46
Molecular Weight274.58 g/mol
Exact Mass274.36
IUPAC Name2,2-dimethylhexane;2,4-dimethylpentane;ethane
SMILESCC.CC.CC(C)CC(C)C.CCCCC(C)(C)C
InChIInChI=1S/C8H18.C7H16.2C2H6/c1-5-6-7-8(2,3)4;1-6(2)5-7(3)4;2*1-2/h5-7H2,1-4H3;6-7H,5H2,1-4H3;2*1-2H3
InChIKeyCRYLTKPVHLWAAJ-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.58
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylhexane
CID 169424592
azane;2,2-dimethylhexane
CID 161105081
2,4-dimethylpentane;ethane;heptane
CID 153392396
2,4-dimethylpentane;pentane
CID 161023213
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
2,2,6,7-tetramethylundecane
CID 123602815
2,2-dimethylhexane;tris(prop-1-ene)
CID 160899116
2,2-dimethylhexane;ethanol;2-methylpropanoic acid
CID 175103669
2,2,7-trimethylundecane
CID 57491501
2,2-dimethylundecane;hydrobromide
CID 172814192
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylnonane;fluoromethane
CID 158057771

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylhexane;2,4-dimethylpentane;ethane?
The IUPAC name of 2,2-dimethylhexane;2,4-dimethylpentane;ethane (CID 145269635) is 2,2-dimethylhexane;2,4-dimethylpentane;ethane.
What is the SMILES notation for 2,2-dimethylhexane;2,4-dimethylpentane;ethane?
The canonical SMILES for 2,2-dimethylhexane;2,4-dimethylpentane;ethane is CC.CC.CC(C)CC(C)C.CCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylhexane;2,4-dimethylpentane;ethane?
The InChIKey is CRYLTKPVHLWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H16.2C2H6/c1-5-6-7-8(2,3)4;1-6(2)5-7(3)4;2*1-2/h5-7H2,1-4H3;6-7H,5H2,1-4H3;2*1-2H3.
What are the key properties of 2,2-dimethylhexane;2,4-dimethylpentane;ethane?
2,2-dimethylhexane;2,4-dimethylpentane;ethane has a molecular weight of 274.58 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexane;2,4-dimethylpentane;ethane is sourced from PubChem (CID 145269635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).