3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane

C18H30O7 — CID 149434302

IUPAC3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane
SMILESC1COCC(OC2(OC3CCOCC3)OCCC2OC2CCOC2)C1
InChIInChI=1S/C18H30O7/c1-2-16(13-20-7-1)25-18(24-14-3-8-19-9-4-14)17(6-11-22-18)23-15-5-10-21-12-15/h14-17H,1-13H2
InChIKeyXXZAQLXPMKJRLX-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.63
Rot. Bonds6

About 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane

3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane (PubChem CID 149434302) has the molecular formula C18H30O7 and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane.

Molecular Properties

Compound Name3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane
PubChem CID149434302
Molecular FormulaC18H30O7
Molecular Weight358.43 g/mol
Exact Mass358.20
IUPAC Name3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane
SMILESC1COCC(OC2(OC3CCOCC3)OCCC2OC2CCOC2)C1
InChIInChI=1S/C18H30O7/c1-2-16(13-20-7-1)25-18(24-14-3-8-19-9-4-14)17(6-11-22-18)23-15-5-10-21-12-15/h14-17H,1-13H2
InChIKeyXXZAQLXPMKJRLX-UHFFFAOYSA-N
XLogP1.63
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane?
The IUPAC name of 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane (CID 149434302) is 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane.
What is the SMILES notation for 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane?
The canonical SMILES for 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane is C1COCC(OC2(OC3CCOCC3)OCCC2OC2CCOC2)C1.
What is the InChIKey of 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane?
The InChIKey is XXZAQLXPMKJRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O7/c1-2-16(13-20-7-1)25-18(24-14-3-8-19-9-4-14)17(6-11-22-18)23-15-5-10-21-12-15/h14-17H,1-13H2.
What are the key properties of 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane?
3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane has a molecular weight of 358.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane is sourced from PubChem (CID 149434302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).