3-ethyl-3-(3-ethylhexan-3-yloxy)hexane

C16H34O — CID 56622419

IUPAC3-ethyl-3-(3-ethylhexan-3-yloxy)hexane
SMILESCCCC(CC)(CC)OC(CC)(CC)CCC
InChIInChI=1S/C16H34O/c1-7-13-15(9-3,10-4)17-16(11-5,12-6)14-8-2/h7-14H2,1-6H3
InChIKeyLCPGLALOFYXRHQ-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.72
Rot. Bonds10

About 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane

3-ethyl-3-(3-ethylhexan-3-yloxy)hexane (PubChem CID 56622419) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane.

Molecular Properties

Compound Name3-ethyl-3-(3-ethylhexan-3-yloxy)hexane
PubChem CID56622419
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3-ethyl-3-(3-ethylhexan-3-yloxy)hexane
SMILESCCCC(CC)(CC)OC(CC)(CC)CCC
InChIInChI=1S/C16H34O/c1-7-13-15(9-3,10-4)17-16(11-5,12-6)14-8-2/h7-14H2,1-6H3
InChIKeyLCPGLALOFYXRHQ-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane?
The IUPAC name of 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane (CID 56622419) is 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane.
What is the SMILES notation for 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane?
The canonical SMILES for 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane is CCCC(CC)(CC)OC(CC)(CC)CCC.
What is the InChIKey of 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane?
The InChIKey is LCPGLALOFYXRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-13-15(9-3,10-4)17-16(11-5,12-6)14-8-2/h7-14H2,1-6H3.
What are the key properties of 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane?
3-ethyl-3-(3-ethylhexan-3-yloxy)hexane has a molecular weight of 242.45 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(3-ethylhexan-3-yloxy)hexane is sourced from PubChem (CID 56622419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).