4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane

C19H20O4 — CID 18766936

IUPAC4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESc1ccc(C2CCOC3(OCCC(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C19H20O4/c1-3-7-15(8-4-1)17-11-13-20-19(22-17)21-14-12-18(23-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyDAXXIDZAQOXWJX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.95
Rot. Bonds2

About 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane

4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane (PubChem CID 18766936) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
PubChem CID18766936
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESc1ccc(C2CCOC3(OCCC(c4ccccc4)O3)O2)cc1
InChIInChI=1S/C19H20O4/c1-3-7-15(8-4-1)17-11-13-20-19(22-17)21-14-12-18(23-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyDAXXIDZAQOXWJX-UHFFFAOYSA-N
XLogP3.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane?
The IUPAC name of 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane (CID 18766936) is 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane is c1ccc(C2CCOC3(OCCC(c4ccccc4)O3)O2)cc1.
What is the InChIKey of 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane?
The InChIKey is DAXXIDZAQOXWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-7-15(8-4-1)17-11-13-20-19(22-17)21-14-12-18(23-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane?
4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane has a molecular weight of 312.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-diphenyl-1,5,7,11-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 18766936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).