4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane

C18H34O5 — CID 58704531

IUPAC4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane
SMILESC1COCCC2CCOCCOCCC(CCO1)CCOCC2
InChIInChI=1S/C18H34O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h17-18H,1-16H2
InChIKeyQVWQGSCACMEQCX-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.67
Rot. Bonds

About 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane

4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane (PubChem CID 58704531) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane.

Molecular Properties

Compound Name4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane
PubChem CID58704531
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane
SMILESC1COCCC2CCOCCOCCC(CCO1)CCOCC2
InChIInChI=1S/C18H34O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h17-18H,1-16H2
InChIKeyQVWQGSCACMEQCX-UHFFFAOYSA-N
XLogP2.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1,5-Dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
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
4,7,13,18-Tetraoxabicyclo[8.5.5]icosane
CID 59876118
3-Methyl-5,8,11,14,17-pentaoxadocosane
CID 88326525
13-Methyl-1,4,7,10-tetraoxacyclopentadecane
CID 89291115
4-Methyl-1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]pentane
CID 89667882

Frequently Asked Questions

What is the IUPAC name of 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane?
The IUPAC name of 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane (CID 58704531) is 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane.
What is the SMILES notation for 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane?
The canonical SMILES for 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane is C1COCCC2CCOCCOCCC(CCO1)CCOCC2.
What is the InChIKey of 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane?
The InChIKey is QVWQGSCACMEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-7-19-8-2-18-5-11-22-15-13-20-9-3-17(1)4-10-21-14-16-23-12-6-18/h17-18H,1-16H2.
What are the key properties of 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane?
4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane has a molecular weight of 330.47 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,16,21-pentaoxabicyclo[8.8.5]tricosane is sourced from PubChem (CID 58704531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).