11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

C25H46O6 — CID 58959063

IUPAC11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESCC1CCC2OCCOCCOC3CCC(C(C)(C)C)CC3OCCOCCOC2C1
InChIInChI=1S/C25H46O6/c1-19-5-7-21-23(17-19)30-15-11-27-12-16-31-24-18-20(25(2,3)4)6-8-22(24)29-14-10-26-9-13-28-21/h19-24H,5-18H2,1-4H3
InChIKeyWBUXVKRUNOAIKL-UHFFFAOYSA-N
MW442.64 g/mol
LogP4.24
Rot. Bonds

About 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane

11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (PubChem CID 58959063) has the molecular formula C25H46O6 and a molecular weight of 442.64 g/mol. Its IUPAC name is 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.

Molecular Properties

Compound Name11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
PubChem CID58959063
Molecular FormulaC25H46O6
Molecular Weight442.64 g/mol
Exact Mass442.33
IUPAC Name11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
SMILESCC1CCC2OCCOCCOC3CCC(C(C)(C)C)CC3OCCOCCOC2C1
InChIInChI=1S/C25H46O6/c1-19-5-7-21-23(17-19)30-15-11-27-12-16-31-24-18-20(25(2,3)4)6-8-22(24)29-14-10-26-9-13-28-21/h19-24H,5-18H2,1-4H3
InChIKeyWBUXVKRUNOAIKL-UHFFFAOYSA-N
XLogP4.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.64
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane with MolForge

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Related Compounds

4',4''(5'')-Di-tert-butyldicyclohexano-18-crown-6
CID 3038127
2,2'-((1-Methylethylidene)bis(cyclohexane-4,1-diyloxymethylene))bisoxirane
CID 114514
2,14-Di-tert-butylicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
CID 4096811
4-tert-Butylcyclohexano-15-crown-5
CID 3293438
4-Methyl-2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]-1-propan-2-ylcyclohexane
CID 70268995
1,2-Diethoxy-3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 140454668
1-[4-[2-[4-(2-Hydroxypropoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-ol
CID 58763481
4-Tert-butyl-2-octoxycyclohexan-1-ol
CID 63465404
2-(3-Ethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64256405
2-(3,4-Dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 64746363
11-Tert-butyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane;2,2-dimethylpropane
CID 2733184
2-(1,1-Dimethylethyl)eicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
CID 2733185

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The IUPAC name of 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane (CID 58959063) is 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane.
What is the SMILES notation for 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The canonical SMILES for 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is CC1CCC2OCCOCCOC3CCC(C(C)(C)C)CC3OCCOCCOC2C1.
What is the InChIKey of 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
The InChIKey is WBUXVKRUNOAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O6/c1-19-5-7-21-23(17-19)30-15-11-27-12-16-31-24-18-20(25(2,3)4)6-8-22(24)29-14-10-26-9-13-28-21/h19-24H,5-18H2,1-4H3.
What are the key properties of 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane?
11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane has a molecular weight of 442.64 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-25-methyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane is sourced from PubChem (CID 58959063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).