2-[di(butan-2-yloxy)methoxy]butane

C13H28O3 — CID 546242

IUPAC2-[di(butan-2-yloxy)methoxy]butane
SMILESCCC(C)OC(OC(C)CC)OC(C)CC
InChIInChI=1S/C13H28O3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-13H,7-9H2,1-6H3
InChIKeyIFHAZTNQCKGTRS-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.72
Rot. Bonds9

About 2-[di(butan-2-yloxy)methoxy]butane

2-[di(butan-2-yloxy)methoxy]butane (PubChem CID 546242) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-[di(butan-2-yloxy)methoxy]butane.

Molecular Properties

Compound Name2-[di(butan-2-yloxy)methoxy]butane
PubChem CID546242
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-[di(butan-2-yloxy)methoxy]butane
SMILESCCC(C)OC(OC(C)CC)OC(C)CC
InChIInChI=1S/C13H28O3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-13H,7-9H2,1-6H3
InChIKeyIFHAZTNQCKGTRS-UHFFFAOYSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[di(butan-2-yloxy)methoxy]butane?
The IUPAC name of 2-[di(butan-2-yloxy)methoxy]butane (CID 546242) is 2-[di(butan-2-yloxy)methoxy]butane.
What is the SMILES notation for 2-[di(butan-2-yloxy)methoxy]butane?
The canonical SMILES for 2-[di(butan-2-yloxy)methoxy]butane is CCC(C)OC(OC(C)CC)OC(C)CC.
What is the InChIKey of 2-[di(butan-2-yloxy)methoxy]butane?
The InChIKey is IFHAZTNQCKGTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-13H,7-9H2,1-6H3.
What are the key properties of 2-[di(butan-2-yloxy)methoxy]butane?
2-[di(butan-2-yloxy)methoxy]butane has a molecular weight of 232.36 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(butan-2-yloxy)methoxy]butane is sourced from PubChem (CID 546242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).