3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane

C16H30O8 — CID 552594

IUPAC3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
SMILESC1COCCOCC2OCCOCCOCCOC2COCCO1
InChIInChI=1S/C16H30O8/c1-2-18-6-8-22-14-16-15(13-21-7-5-17-1)23-11-9-19-3-4-20-10-12-24-16/h15-16H,1-14H2
InChIKeyXZSOARFTYRBSJJ-UHFFFAOYSA-N
MW350.41 g/mol
LogP-0.12
Rot. Bonds

About 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane

3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane (PubChem CID 552594) has the molecular formula C16H30O8 and a molecular weight of 350.41 g/mol. Its IUPAC name is 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane.

Molecular Properties

Compound Name3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
PubChem CID552594
Molecular FormulaC16H30O8
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
SMILESC1COCCOCC2OCCOCCOCCOC2COCCO1
InChIInChI=1S/C16H30O8/c1-2-18-6-8-22-14-16-15(13-21-7-5-17-1)23-11-9-19-3-4-20-10-12-24-16/h15-16H,1-14H2
InChIKeyXZSOARFTYRBSJJ-UHFFFAOYSA-N
XLogP-0.12
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-1,4,7,10,13,16,19-heptaoxacyclohenicosane
CID 20522440
2-(1,4-dioxan-2-yl)-1,4-dioxane;2-sulfanylethanol
CID 174944550
2-(1,3-dioxol-2-yl)-1,4-dioxane
CID 141015106
(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
CID 10959677
(1S,18S)-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane
CID 102121960
3-(1,4-dioxan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 150634021
18-(1,4,7,10,13,16-hexaoxacyclononadec-18-yl)-1,4,7,10,13,16-hexaoxacyclononadecane
CID 560657
2-spiro[4.4]nonan-4-yl-1,4-dioxane
CID 67216497
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255
2-ethenyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 58827418
1,4-dioxane
CID 161483686

Frequently Asked Questions

What is the IUPAC name of 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane?
The IUPAC name of 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane (CID 552594) is 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane.
What is the SMILES notation for 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane?
The canonical SMILES for 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane is C1COCCOCC2OCCOCCOCCOC2COCCO1.
What is the InChIKey of 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane?
The InChIKey is XZSOARFTYRBSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O8/c1-2-18-6-8-22-14-16-15(13-21-7-5-17-1)23-11-9-19-3-4-20-10-12-24-16/h15-16H,1-14H2.
What are the key properties of 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane?
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane has a molecular weight of 350.41 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane is sourced from PubChem (CID 552594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).