11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

C24H44O6 — CID 2733185

IUPAC11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESCC(C)(C)C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
InChIInChI=1S/C24H44O6/c1-24(2,3)19-8-9-22-23(18-19)30-17-13-26-11-15-28-21-7-5-4-6-20(21)27-14-10-25-12-16-29-22/h19-23H,4-18H2,1-3H3
InChIKeyVPKNIHLHDYAUNS-UHFFFAOYSA-N
MW428.61 g/mol
LogP3.99
Rot. Bonds

About 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (PubChem CID 2733185) has the molecular formula C24H44O6 and a molecular weight of 428.61 g/mol. Its IUPAC name is 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.

Molecular Properties

Compound Name11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
PubChem CID2733185
Molecular FormulaC24H44O6
Molecular Weight428.61 g/mol
Exact Mass428.31
IUPAC Name11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESCC(C)(C)C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
InChIInChI=1S/C24H44O6/c1-24(2,3)19-8-9-22-23(18-19)30-17-13-26-11-15-28-21-7-5-4-6-20(21)27-14-10-25-12-16-29-22/h19-23H,4-18H2,1-3H3
InChIKeyVPKNIHLHDYAUNS-UHFFFAOYSA-N
XLogP3.99
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The IUPAC name of 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (CID 2733185) is 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.
What is the SMILES notation for 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The canonical SMILES for 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is CC(C)(C)C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1.
What is the InChIKey of 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The InChIKey is VPKNIHLHDYAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O6/c1-24(2,3)19-8-9-22-23(18-19)30-17-13-26-11-15-28-21-7-5-4-6-20(21)27-14-10-25-12-16-29-22/h19-23H,4-18H2,1-3H3.
What are the key properties of 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane has a molecular weight of 428.61 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is sourced from PubChem (CID 2733185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).