2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde

C13H26O4 — CID 166753432

IUPAC2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
SMILESCOCCC(C)(C)OCCC(C)(C)OCC=O
InChIInChI=1S/C13H26O4/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14/h8H,6-7,9-11H2,1-5H3
InChIKeyJCYPXWHHOLEKHT-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds10

About 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde

2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde (PubChem CID 166753432) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
PubChem CID166753432
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
SMILESCOCCC(C)(C)OCCC(C)(C)OCC=O
InChIInChI=1S/C13H26O4/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14/h8H,6-7,9-11H2,1-5H3
InChIKeyJCYPXWHHOLEKHT-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde?
The IUPAC name of 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde (CID 166753432) is 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde?
The canonical SMILES for 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde is COCCC(C)(C)OCCC(C)(C)OCC=O.
What is the InChIKey of 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde?
The InChIKey is JCYPXWHHOLEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-12(2,6-9-15-5)16-10-7-13(3,4)17-11-8-14/h8H,6-7,9-11H2,1-5H3.
What are the key properties of 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde?
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde has a molecular weight of 246.35 g/mol, XLogP of 2.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde is sourced from PubChem (CID 166753432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).