2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane

C22H32O4 — CID 70003262

IUPAC2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane
SMILESc1cc(C2CCC(OC3CCCCO3)CC2)ccc1OC1CCCCO1
InChIInChI=1S/C22H32O4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h7-8,11-12,18,20-22H,1-6,9-10,13-16H2
InChIKeySPPDMRATUPZAAC-UHFFFAOYSA-N
MW360.49 g/mol
LogP5.16
Rot. Bonds5

About 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane

2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane (PubChem CID 70003262) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane.

Molecular Properties

Compound Name2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane
PubChem CID70003262
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane
SMILESc1cc(C2CCC(OC3CCCCO3)CC2)ccc1OC1CCCCO1
InChIInChI=1S/C22H32O4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h7-8,11-12,18,20-22H,1-6,9-10,13-16H2
InChIKeySPPDMRATUPZAAC-UHFFFAOYSA-N
XLogP5.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane?
The IUPAC name of 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane (CID 70003262) is 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane.
What is the SMILES notation for 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane?
The canonical SMILES for 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane is c1cc(C2CCC(OC3CCCCO3)CC2)ccc1OC1CCCCO1.
What is the InChIKey of 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane?
The InChIKey is SPPDMRATUPZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4/c1-3-15-23-21(5-1)25-19-11-7-17(8-12-19)18-9-13-20(14-10-18)26-22-6-2-4-16-24-22/h7-8,11-12,18,20-22H,1-6,9-10,13-16H2.
What are the key properties of 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane?
2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane has a molecular weight of 360.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(oxan-2-yloxy)cyclohexyl]phenoxy]oxane is sourced from PubChem (CID 70003262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).