2-(3-ethoxybutoxy)-5-methylhexane

C13H28O2 — CID 59518709

IUPAC2-(3-ethoxybutoxy)-5-methylhexane
SMILESCCOC(C)CCOC(C)CCC(C)C
InChIInChI=1S/C13H28O2/c1-6-14-13(5)9-10-15-12(4)8-7-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyLSHWMABTQUPDRN-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds9

About 2-(3-ethoxybutoxy)-5-methylhexane

2-(3-ethoxybutoxy)-5-methylhexane (PubChem CID 59518709) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-(3-ethoxybutoxy)-5-methylhexane.

Molecular Properties

Compound Name2-(3-ethoxybutoxy)-5-methylhexane
PubChem CID59518709
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-(3-ethoxybutoxy)-5-methylhexane
SMILESCCOC(C)CCOC(C)CCC(C)C
InChIInChI=1S/C13H28O2/c1-6-14-13(5)9-10-15-12(4)8-7-11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyLSHWMABTQUPDRN-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxybutoxy)-5-methylhexane?
The IUPAC name of 2-(3-ethoxybutoxy)-5-methylhexane (CID 59518709) is 2-(3-ethoxybutoxy)-5-methylhexane.
What is the SMILES notation for 2-(3-ethoxybutoxy)-5-methylhexane?
The canonical SMILES for 2-(3-ethoxybutoxy)-5-methylhexane is CCOC(C)CCOC(C)CCC(C)C.
What is the InChIKey of 2-(3-ethoxybutoxy)-5-methylhexane?
The InChIKey is LSHWMABTQUPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-14-13(5)9-10-15-12(4)8-7-11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-(3-ethoxybutoxy)-5-methylhexane?
2-(3-ethoxybutoxy)-5-methylhexane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxybutoxy)-5-methylhexane is sourced from PubChem (CID 59518709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).