4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine

C15H31NO3Sn — CID 16683176

IUPAC4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine
SMILESCCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1
InChIInChI=1S/C7H13NO3.2C4H9.Sn/c9-6-7(10)5-8-1-3-11-4-2-8;2*1-3-4-2;/h7H,1-6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyZGBONOUZBPJZFF-UHFFFAOYSA-N
MW392.13 g/mol
LogP2.78
Rot. Bonds8

About 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine

4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine (PubChem CID 16683176) has the molecular formula C15H31NO3Sn and a molecular weight of 392.13 g/mol. Its IUPAC name is 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine
PubChem CID16683176
Molecular FormulaC15H31NO3Sn
Molecular Weight392.13 g/mol
Exact Mass393.13
IUPAC Name4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine
SMILESCCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1
InChIInChI=1S/C7H13NO3.2C4H9.Sn/c9-6-7(10)5-8-1-3-11-4-2-8;2*1-3-4-2;/h7H,1-6H2;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyZGBONOUZBPJZFF-UHFFFAOYSA-N
XLogP2.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine (CID 16683176) is 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine is CCCC[Sn]1(CCCC)OCC(CN2CCOCC2)O1.
What is the InChIKey of 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine?
The InChIKey is ZGBONOUZBPJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.2C4H9.Sn/c9-6-7(10)5-8-1-3-11-4-2-8;2*1-3-4-2;/h7H,1-6H2;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine?
4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine has a molecular weight of 392.13 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)methyl]morpholine is sourced from PubChem (CID 16683176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).