[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium

C13H27N2O4PY — CID 148934482

IUPAC[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium
SMILESC=[PH](OCC1CNCC(C)O1)N1CC(C)OC(CO)C1.[Y]
InChIInChI=1S/C13H27N2O4P.Y/c1-10-4-14-5-12(18-10)9-17-20(3)15-6-11(2)19-13(7-15)8-16;/h10-14,16,20H,3-9H2,1-2H3;
InChIKeyMWOPEDZQPOSRJL-UHFFFAOYSA-N
MW395.25 g/mol
LogP-0.06
Rot. Bonds5

About [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium

[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium (PubChem CID 148934482) has the molecular formula C13H27N2O4PY and a molecular weight of 395.25 g/mol. Its IUPAC name is [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium.

Molecular Properties

Compound Name[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium
PubChem CID148934482
Molecular FormulaC13H27N2O4PY
Molecular Weight395.25 g/mol
Exact Mass395.08
IUPAC Name[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium
SMILESC=[PH](OCC1CNCC(C)O1)N1CC(C)OC(CO)C1.[Y]
InChIInChI=1S/C13H27N2O4P.Y/c1-10-4-14-5-12(18-10)9-17-20(3)15-6-11(2)19-13(7-15)8-16;/h10-14,16,20H,3-9H2,1-2H3;
InChIKeyMWOPEDZQPOSRJL-UHFFFAOYSA-N
XLogP-0.06
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium?
The IUPAC name of [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium (CID 148934482) is [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium.
What is the SMILES notation for [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium?
The canonical SMILES for [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium is C=[PH](OCC1CNCC(C)O1)N1CC(C)OC(CO)C1.[Y].
What is the InChIKey of [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium?
The InChIKey is MWOPEDZQPOSRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O4P.Y/c1-10-4-14-5-12(18-10)9-17-20(3)15-6-11(2)19-13(7-15)8-16;/h10-14,16,20H,3-9H2,1-2H3;.
What are the key properties of [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium?
[6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium has a molecular weight of 395.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-[methylidene-[(6-methylmorpholin-2-yl)methoxy]-λ5-phosphanyl]morpholin-2-yl]methanol;yttrium is sourced from PubChem (CID 148934482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).