4,7,13,18-tetraoxabicyclo[8.5.5]icosane

C16H30O4 — CID 59876118

IUPAC4,7,13,18-tetraoxabicyclo[8.5.5]icosane
SMILESC1COCCC2CCOCCC(CCO1)CCOCC2
InChIInChI=1S/C16H30O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h15-16H,1-14H2
InChIKeyIICYXRWMANARCG-UHFFFAOYSA-N
MW286.41 g/mol
LogP2.65
Rot. Bonds

About 4,7,13,18-tetraoxabicyclo[8.5.5]icosane

4,7,13,18-tetraoxabicyclo[8.5.5]icosane (PubChem CID 59876118) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4,7,13,18-tetraoxabicyclo[8.5.5]icosane.

Molecular Properties

Compound Name4,7,13,18-tetraoxabicyclo[8.5.5]icosane
PubChem CID59876118
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name4,7,13,18-tetraoxabicyclo[8.5.5]icosane
SMILESC1COCCC2CCOCCC(CCO1)CCOCC2
InChIInChI=1S/C16H30O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h15-16H,1-14H2
InChIKeyIICYXRWMANARCG-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3'-Methylenbis(1,5,8,11-tetraoxacyclotridecane)
CID 560722
4,7,13,16,21,24-Hexaoxabicyclo[8.8.8]hexacosane
CID 15241470
1-[2-(2-Ethoxyethoxy)ethoxy]-3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 19877939
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethoxy]-3-[2-(2-ethoxyethoxy)ethoxymethyl]-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 19978673
4,7,13,16,21-Pentaoxabicyclo[8.8.5]tricosane
CID 58704531
7,7,16,16-Tetramethyl-1,4,10,13-tetraoxacyclooctadecane
CID 59046060
1,5-Bis(2-methoxyethoxy)-3-(2-methoxyethoxymethyl)pentane
CID 59118349
13-Propan-2-yl-1,4,7,10-tetraoxacyclopentadecane
CID 59686750
4,10,15-Trioxabicyclo[5.5.5]heptadecane
CID 59876117
13-Methyl-1,4,7,10-tetraoxacyclopentadecane
CID 89291115
1,3-Bis(2-methoxyethoxy)propane;1,5-dimethoxy-3-(methoxymethyl)pentane
CID 90787039
12-(Methoxymethyl)-1,4,7,10-tetraoxacyclopentadecane
CID 118319524

Frequently Asked Questions

What is the IUPAC name of 4,7,13,18-tetraoxabicyclo[8.5.5]icosane?
The IUPAC name of 4,7,13,18-tetraoxabicyclo[8.5.5]icosane (CID 59876118) is 4,7,13,18-tetraoxabicyclo[8.5.5]icosane.
What is the SMILES notation for 4,7,13,18-tetraoxabicyclo[8.5.5]icosane?
The canonical SMILES for 4,7,13,18-tetraoxabicyclo[8.5.5]icosane is C1COCCC2CCOCCC(CCO1)CCOCC2.
What is the InChIKey of 4,7,13,18-tetraoxabicyclo[8.5.5]icosane?
The InChIKey is IICYXRWMANARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-7-17-9-3-16-4-10-18-8-2-15(1)5-11-19-13-14-20-12-6-16/h15-16H,1-14H2.
What are the key properties of 4,7,13,18-tetraoxabicyclo[8.5.5]icosane?
4,7,13,18-tetraoxabicyclo[8.5.5]icosane has a molecular weight of 286.41 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,18-tetraoxabicyclo[8.5.5]icosane is sourced from PubChem (CID 59876118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).