3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine

C16H33NO3 — CID 134488874

IUPAC3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine
SMILESCC(C)(C)OCCCOCCN1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H33NO3/c1-15(2,3)19-10-7-9-18-11-8-17-12-14(13-17)20-16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyZDQYBBFOXOHQIP-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.71
Rot. Bonds8

About 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine

3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine (PubChem CID 134488874) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine
PubChem CID134488874
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine
SMILESCC(C)(C)OCCCOCCN1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H33NO3/c1-15(2,3)19-10-7-9-18-11-8-17-12-14(13-17)20-16(4,5)6/h14H,7-13H2,1-6H3
InChIKeyZDQYBBFOXOHQIP-UHFFFAOYSA-N
XLogP2.71
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine (CID 134488874) is 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine is CC(C)(C)OCCCOCCN1CC(OC(C)(C)C)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine?
The InChIKey is ZDQYBBFOXOHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-15(2,3)19-10-7-9-18-11-8-17-12-14(13-17)20-16(4,5)6/h14H,7-13H2,1-6H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine?
3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine has a molecular weight of 287.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-1-[2-[3-[(2-methylpropan-2-yl)oxy]propoxy]ethyl]azetidine is sourced from PubChem (CID 134488874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).