6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane

C14H22O3 — CID 142777505

IUPAC6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane
SMILESC1CC2(CCC1OC1CCC3(CC1)CO3)CO2
InChIInChI=1S/C14H22O3/c1-5-13(9-15-13)6-2-11(1)17-12-3-7-14(8-4-12)10-16-14/h11-12H,1-10H2
InChIKeyZGEJIHWBXCFPJH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.43
Rot. Bonds2

About 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane

6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane (PubChem CID 142777505) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane
PubChem CID142777505
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane
SMILESC1CC2(CCC1OC1CCC3(CC1)CO3)CO2
InChIInChI=1S/C14H22O3/c1-5-13(9-15-13)6-2-11(1)17-12-3-7-14(8-4-12)10-16-14/h11-12H,1-10H2
InChIKeyZGEJIHWBXCFPJH-UHFFFAOYSA-N
XLogP2.43
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane?
The IUPAC name of 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane (CID 142777505) is 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane.
What is the SMILES notation for 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane?
The canonical SMILES for 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane is C1CC2(CCC1OC1CCC3(CC1)CO3)CO2.
What is the InChIKey of 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane?
The InChIKey is ZGEJIHWBXCFPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-13(9-15-13)6-2-11(1)17-12-3-7-14(8-4-12)10-16-14/h11-12H,1-10H2.
What are the key properties of 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane?
6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane has a molecular weight of 238.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxaspiro[2.5]octan-6-yloxy)-1-oxaspiro[2.5]octane is sourced from PubChem (CID 142777505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).