4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal

C15H31NO3 — CID 126510686

IUPAC4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal
SMILESCC(C=O)CC(C)OC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C15H31NO3/c1-12(10-17)9-13(2)19-15(5,6)11-18-14(3,4)7-8-16/h10,12-13H,7-9,11,16H2,1-6H3
InChIKeyFFCIGWIJDJVTKX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.54
Rot. Bonds10

About 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal

4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal (PubChem CID 126510686) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal.

Molecular Properties

Compound Name4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal
PubChem CID126510686
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal
SMILESCC(C=O)CC(C)OC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C15H31NO3/c1-12(10-17)9-13(2)19-15(5,6)11-18-14(3,4)7-8-16/h10,12-13H,7-9,11,16H2,1-6H3
InChIKeyFFCIGWIJDJVTKX-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal?
The IUPAC name of 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal (CID 126510686) is 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal.
What is the SMILES notation for 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal?
The canonical SMILES for 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal is CC(C=O)CC(C)OC(C)(C)COC(C)(C)CCN.
What is the InChIKey of 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal?
The InChIKey is FFCIGWIJDJVTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12(10-17)9-13(2)19-15(5,6)11-18-14(3,4)7-8-16/h10,12-13H,7-9,11,16H2,1-6H3.
What are the key properties of 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal?
4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal has a molecular weight of 273.42 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-2-methylbutan-2-yl)oxy-2-methylpropan-2-yl]oxy-2-methylpentanal is sourced from PubChem (CID 126510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).