3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

C21H24O4 — CID 748575

IUPAC3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCc1ccc(C2OCC3(CO2)COC(c2ccc(C)cc2)OC3)cc1
InChIInChI=1S/C21H24O4/c1-15-3-7-17(8-4-15)19-22-11-21(12-23-19)13-24-20(25-14-21)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyQLJRDJLTWGHJSN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.08
Rot. Bonds2

About 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (PubChem CID 748575) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
PubChem CID748575
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
SMILESCc1ccc(C2OCC3(CO2)COC(c2ccc(C)cc2)OC3)cc1
InChIInChI=1S/C21H24O4/c1-15-3-7-17(8-4-15)19-22-11-21(12-23-19)13-24-20(25-14-21)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3
InChIKeyQLJRDJLTWGHJSN-UHFFFAOYSA-N
XLogP4.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (CID 748575) is 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is Cc1ccc(C2OCC3(CO2)COC(c2ccc(C)cc2)OC3)cc1.
What is the InChIKey of 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
The InChIKey is QLJRDJLTWGHJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-15-3-7-17(8-4-15)19-22-11-21(12-23-19)13-24-20(25-14-21)18-9-5-16(2)6-10-18/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane?
3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane has a molecular weight of 340.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(4-methylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 748575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).