4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine

C13H27NO3 — CID 57102077

IUPAC4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine
SMILESCCOC(OCC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C13H27NO3/c1-5-13(4,12(16-6-2)17-7-3)14-8-10-15-11-9-14/h12H,5-11H2,1-4H3
InChIKeyZLXARWFQLMEAPM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.89
Rot. Bonds7

About 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine

4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine (PubChem CID 57102077) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine
PubChem CID57102077
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine
SMILESCCOC(OCC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C13H27NO3/c1-5-13(4,12(16-6-2)17-7-3)14-8-10-15-11-9-14/h12H,5-11H2,1-4H3
InChIKeyZLXARWFQLMEAPM-UHFFFAOYSA-N
XLogP1.89
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine?
The IUPAC name of 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine (CID 57102077) is 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine.
What is the SMILES notation for 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine?
The canonical SMILES for 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine is CCOC(OCC)C(C)(CC)N1CCOCC1.
What is the InChIKey of 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine?
The InChIKey is ZLXARWFQLMEAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-13(4,12(16-6-2)17-7-3)14-8-10-15-11-9-14/h12H,5-11H2,1-4H3.
What are the key properties of 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine?
4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine has a molecular weight of 245.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-diethoxy-2-methylbutan-2-yl)morpholine is sourced from PubChem (CID 57102077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).