4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C13H25NO4 — CID 79933125

IUPAC4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CCO)C1=O
InChIInChI=1S/C13H25NO4/c1-12(2)10(11(17)13(3,4)18-12)9-14(5-7-15)6-8-16/h10,15-16H,5-9H2,1-4H3
InChIKeyWIJMTYPKMBAUOR-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.05
Rot. Bonds6

About 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933125) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933125
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC1(C)OC(C)(C)C(CN(CCO)CCO)C1=O
InChIInChI=1S/C13H25NO4/c1-12(2)10(11(17)13(3,4)18-12)9-14(5-7-15)6-8-16/h10,15-16H,5-9H2,1-4H3
InChIKeyWIJMTYPKMBAUOR-UHFFFAOYSA-N
XLogP0.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933125) is 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC1(C)OC(C)(C)C(CN(CCO)CCO)C1=O.
What is the InChIKey of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is WIJMTYPKMBAUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2)10(11(17)13(3,4)18-12)9-14(5-7-15)6-8-16/h10,15-16H,5-9H2,1-4H3.
What are the key properties of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 259.35 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).