4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

C15H31NO4 — CID 79929556

IUPAC4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO4/c1-14(2)12(13(17)15(3,4)20-14)11-16(7-9-18-5)8-10-19-6/h12-13,17H,7-11H2,1-6H3
InChIKeyCRUAAFGXEFXUMK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.15
Rot. Bonds8

About 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79929556) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79929556
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCOCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H31NO4/c1-14(2)12(13(17)15(3,4)20-14)11-16(7-9-18-5)8-10-19-6/h12-13,17H,7-11H2,1-6H3
InChIKeyCRUAAFGXEFXUMK-UHFFFAOYSA-N
XLogP1.15
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79929556) is 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is COCCN(CCOC)CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is CRUAAFGXEFXUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-14(2)12(13(17)15(3,4)20-14)11-16(7-9-18-5)8-10-19-6/h12-13,17H,7-11H2,1-6H3.
What are the key properties of 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 289.42 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79929556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).