2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane

C13H22O5 — CID 71344408

IUPAC2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane
SMILESC1COCC2(COC2)COCC2(COC1)COC2
InChIInChI=1S/C13H22O5/c1-2-14-4-12(6-16-7-12)10-18-11-13(5-15-3-1)8-17-9-13/h1-11H2
InChIKeySUBKKBNMMSIULP-UHFFFAOYSA-N
MW258.31 g/mol
LogP0.47
Rot. Bonds

About 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane

2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane (PubChem CID 71344408) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane.

Molecular Properties

Compound Name2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane
PubChem CID71344408
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane
SMILESC1COCC2(COC2)COCC2(COC1)COC2
InChIInChI=1S/C13H22O5/c1-2-14-4-12(6-16-7-12)10-18-11-13(5-15-3-1)8-17-9-13/h1-11H2
InChIKeySUBKKBNMMSIULP-UHFFFAOYSA-N
XLogP0.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane?
The IUPAC name of 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane (CID 71344408) is 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane.
What is the SMILES notation for 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane?
The canonical SMILES for 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane is C1COCC2(COC2)COCC2(COC1)COC2.
What is the InChIKey of 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane?
The InChIKey is SUBKKBNMMSIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-2-14-4-12(6-16-7-12)10-18-11-13(5-15-3-1)8-17-9-13/h1-11H2.
What are the key properties of 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane?
2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane has a molecular weight of 258.31 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,13,17-pentaoxadispiro[3.3.38.74]octadecane is sourced from PubChem (CID 71344408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).