3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane

C15H32O2 — CID 22372614

IUPAC3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane
SMILESCCC(C)OCC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C15H32O2/c1-8-14(6)17-11-15(10-16-7,13(4)5)9-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyDDRLDXRNOFOPDI-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.14
Rot. Bonds9

About 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane

3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane (PubChem CID 22372614) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane.

Molecular Properties

Compound Name3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane
PubChem CID22372614
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane
SMILESCCC(C)OCC(COC)(CC(C)C)C(C)C
InChIInChI=1S/C15H32O2/c1-8-14(6)17-11-15(10-16-7,13(4)5)9-12(2)3/h12-14H,8-11H2,1-7H3
InChIKeyDDRLDXRNOFOPDI-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane?
The IUPAC name of 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane (CID 22372614) is 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane.
What is the SMILES notation for 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane?
The canonical SMILES for 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane is CCC(C)OCC(COC)(CC(C)C)C(C)C.
What is the InChIKey of 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane?
The InChIKey is DDRLDXRNOFOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-8-14(6)17-11-15(10-16-7,13(4)5)9-12(2)3/h12-14H,8-11H2,1-7H3.
What are the key properties of 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane?
3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane has a molecular weight of 244.42 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane is sourced from PubChem (CID 22372614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).