(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

C20H36O6 — CID 10959677

IUPAC(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESC1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1
InChIInChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2/t17-,18+,19+,20-
InChIKeyBBGKDYHZQOSNMU-JVSBHGNQSA-N
MW372.50 g/mol
LogP2.72
Rot. Bonds

About (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (PubChem CID 10959677) has the molecular formula C20H36O6 and a molecular weight of 372.50 g/mol. Its IUPAC name is (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.

Molecular Properties

Compound Name(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
PubChem CID10959677
Molecular FormulaC20H36O6
Molecular Weight372.50 g/mol
Exact Mass372.25
IUPAC Name(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESC1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1
InChIInChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2/t17-,18+,19+,20-
InChIKeyBBGKDYHZQOSNMU-JVSBHGNQSA-N
XLogP2.72
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The IUPAC name of (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (CID 10959677) is (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.
What is the SMILES notation for (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The canonical SMILES for (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is C1CC[C@H]2OCCOCCO[C@H]3CCCC[C@H]3OCCOCCO[C@H]2C1.
What is the InChIKey of (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The InChIKey is BBGKDYHZQOSNMU-JVSBHGNQSA-N. The full InChI is InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2/t17-,18+,19+,20-.
What are the key properties of (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
(1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane has a molecular weight of 372.50 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,14S,22R)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is sourced from PubChem (CID 10959677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).