2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane

C18H34O4 — CID 135046002

IUPAC2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane
SMILESCCCC(OC1CCCCO1)C(CC)COC1CCCCO1
InChIInChI=1S/C18H34O4/c1-3-9-16(22-18-11-6-8-13-20-18)15(4-2)14-21-17-10-5-7-12-19-17/h15-18H,3-14H2,1-2H3
InChIKeyBWJKIUUZRZICOL-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.27
Rot. Bonds9

About 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane

2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane (PubChem CID 135046002) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane.

Molecular Properties

Compound Name2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane
PubChem CID135046002
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane
SMILESCCCC(OC1CCCCO1)C(CC)COC1CCCCO1
InChIInChI=1S/C18H34O4/c1-3-9-16(22-18-11-6-8-13-20-18)15(4-2)14-21-17-10-5-7-12-19-17/h15-18H,3-14H2,1-2H3
InChIKeyBWJKIUUZRZICOL-UHFFFAOYSA-N
XLogP4.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane?
The IUPAC name of 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane (CID 135046002) is 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane.
What is the SMILES notation for 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane?
The canonical SMILES for 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane is CCCC(OC1CCCCO1)C(CC)COC1CCCCO1.
What is the InChIKey of 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane?
The InChIKey is BWJKIUUZRZICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-3-9-16(22-18-11-6-8-13-20-18)15(4-2)14-21-17-10-5-7-12-19-17/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane?
2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane has a molecular weight of 314.47 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(oxan-2-yloxy)hexoxy]oxane is sourced from PubChem (CID 135046002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).