3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane

C16H26O6 — CID 10925067

IUPAC3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
SMILESCC1(C2(C)OOC3(CCCCC3)O2)OOC2(CCCCC2)O1
InChIInChI=1S/C16H26O6/c1-13(17-15(21-19-13)9-5-3-6-10-15)14(2)18-16(22-20-14)11-7-4-8-12-16/h3-12H2,1-2H3
InChIKeyYCLMDWMQWJFTOE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.70
Rot. Bonds1

About 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane

3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane (PubChem CID 10925067) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
PubChem CID10925067
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
SMILESCC1(C2(C)OOC3(CCCCC3)O2)OOC2(CCCCC2)O1
InChIInChI=1S/C16H26O6/c1-13(17-15(21-19-13)9-5-3-6-10-15)14(2)18-16(22-20-14)11-7-4-8-12-16/h3-12H2,1-2H3
InChIKeyYCLMDWMQWJFTOE-UHFFFAOYSA-N
XLogP3.70
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane?
The IUPAC name of 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane (CID 10925067) is 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane?
The canonical SMILES for 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane is CC1(C2(C)OOC3(CCCCC3)O2)OOC2(CCCCC2)O1.
What is the InChIKey of 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane?
The InChIKey is YCLMDWMQWJFTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-13(17-15(21-19-13)9-5-3-6-10-15)14(2)18-16(22-20-14)11-7-4-8-12-16/h3-12H2,1-2H3.
What are the key properties of 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane?
3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane has a molecular weight of 314.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane is sourced from PubChem (CID 10925067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).