2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane

C16H34O — CID 56619095

IUPAC2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane
SMILESCC(C)CCC(C)(C)OC(C)(C)CCC(C)C
InChIInChI=1S/C16H34O/c1-13(2)9-11-15(5,6)17-16(7,8)12-10-14(3)4/h13-14H,9-12H2,1-8H3
InChIKeyREKBSKCJAUBHFT-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds8

About 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane

2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane (PubChem CID 56619095) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane
PubChem CID56619095
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane
SMILESCC(C)CCC(C)(C)OC(C)(C)CCC(C)C
InChIInChI=1S/C16H34O/c1-13(2)9-11-15(5,6)17-16(7,8)12-10-14(3)4/h13-14H,9-12H2,1-8H3
InChIKeyREKBSKCJAUBHFT-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane?
The IUPAC name of 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane (CID 56619095) is 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane.
What is the SMILES notation for 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane?
The canonical SMILES for 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane is CC(C)CCC(C)(C)OC(C)(C)CCC(C)C.
What is the InChIKey of 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane?
The InChIKey is REKBSKCJAUBHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-13(2)9-11-15(5,6)17-16(7,8)12-10-14(3)4/h13-14H,9-12H2,1-8H3.
What are the key properties of 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane?
2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane has a molecular weight of 242.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylhexan-2-yloxy)-2,5-dimethylhexane is sourced from PubChem (CID 56619095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).