2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane

C29H54O6 — CID 123438419

IUPAC2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
SMILESCOC1CCCC(C)(OC2CCCC(C)(OC3CCCCCCCO3)CCCCO2)CCCCO1
InChIInChI=1S/C29H54O6/c1-28(18-8-11-23-31-25(30-3)16-13-20-28)35-27-17-14-21-29(2,19-9-12-24-33-27)34-26-15-7-5-4-6-10-22-32-26/h25-27H,4-24H2,1-3H3
InChIKeyNRAAHGBTSQSXHJ-UHFFFAOYSA-N
MW498.75 g/mol
LogP7.27
Rot. Bonds5

About 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane

2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane (PubChem CID 123438419) has the molecular formula C29H54O6 and a molecular weight of 498.75 g/mol. Its IUPAC name is 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane.

Molecular Properties

Compound Name2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
PubChem CID123438419
Molecular FormulaC29H54O6
Molecular Weight498.75 g/mol
Exact Mass498.39
IUPAC Name2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
SMILESCOC1CCCC(C)(OC2CCCC(C)(OC3CCCCCCCO3)CCCCO2)CCCCO1
InChIInChI=1S/C29H54O6/c1-28(18-8-11-23-31-25(30-3)16-13-20-28)35-27-17-14-21-29(2,19-9-12-24-33-27)34-26-15-7-5-4-6-10-22-32-26/h25-27H,4-24H2,1-3H3
InChIKeyNRAAHGBTSQSXHJ-UHFFFAOYSA-N
XLogP7.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.75
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 24974084
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ethane;formaldehyde;methane;2-methoxyoxane
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CID 14148172
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
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2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
2-methoxyoxane;3-methyl-2-methylideneoxetane
CID 161197954
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane?
The IUPAC name of 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane (CID 123438419) is 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane.
What is the SMILES notation for 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane?
The canonical SMILES for 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane is COC1CCCC(C)(OC2CCCC(C)(OC3CCCCCCCO3)CCCCO2)CCCCO1.
What is the InChIKey of 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane?
The InChIKey is NRAAHGBTSQSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54O6/c1-28(18-8-11-23-31-25(30-3)16-13-20-28)35-27-17-14-21-29(2,19-9-12-24-33-27)34-26-15-7-5-4-6-10-22-32-26/h25-27H,4-24H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane?
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane has a molecular weight of 498.75 g/mol, XLogP of 7.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane is sourced from PubChem (CID 123438419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).