4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine

C15H26NO4P — CID 2308322

IUPAC4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine
SMILESCc1ccc(P(=O)(OCCN2CCOCC2)C(C)(C)C)o1
InChIInChI=1S/C15H26NO4P/c1-13-5-6-14(20-13)21(17,15(2,3)4)19-12-9-16-7-10-18-11-8-16/h5-6H,7-12H2,1-4H3
InChIKeyXSPWHTLZTQTELG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.64
Rot. Bonds5

About 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine

4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine (PubChem CID 2308322) has the molecular formula C15H26NO4P and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine
PubChem CID2308322
Molecular FormulaC15H26NO4P
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC Name4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine
SMILESCc1ccc(P(=O)(OCCN2CCOCC2)C(C)(C)C)o1
InChIInChI=1S/C15H26NO4P/c1-13-5-6-14(20-13)21(17,15(2,3)4)19-12-9-16-7-10-18-11-8-16/h5-6H,7-12H2,1-4H3
InChIKeyXSPWHTLZTQTELG-UHFFFAOYSA-N
XLogP2.64
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine (CID 2308322) is 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine is Cc1ccc(P(=O)(OCCN2CCOCC2)C(C)(C)C)o1.
What is the InChIKey of 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine?
The InChIKey is XSPWHTLZTQTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO4P/c1-13-5-6-14(20-13)21(17,15(2,3)4)19-12-9-16-7-10-18-11-8-16/h5-6H,7-12H2,1-4H3.
What are the key properties of 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine?
4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine has a molecular weight of 315.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl-(5-methylfuran-2-yl)phosphoryl]oxyethyl]morpholine is sourced from PubChem (CID 2308322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).