4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde

C10H19NO4 — CID 167217783

IUPAC4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde
SMILESCC(C)(C)OC(O)N1CCOCC1C=O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyZYDKUZHWHYSNJI-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.02
Rot. Bonds3

About 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde

4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde (PubChem CID 167217783) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde
PubChem CID167217783
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde
SMILESCC(C)(C)OC(O)N1CCOCC1C=O
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyZYDKUZHWHYSNJI-UHFFFAOYSA-N
XLogP-0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-formyl-N-methylmorpholine-4-carboxamide
CID 176672537
(3S)-4-(2-methylpropyl)morpholine-3-carbaldehyde
CID 175315044
tert-butyl 2-bromo-2-[(3R)-3-methylmorpholin-4-yl]acetate
CID 155290587
ethyl 4-(3-formylmorpholin-4-yl)butanoate
CID 170430056
(2R,3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-2-methylpyrrolidin-3-ol
CID 142979372
tert-butyl (2S)-3-methyl-2-[(3S)-3-(oxan-4-yl)morpholin-4-yl]butanoate
CID 178087088
tert-butyl 3-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
tert-butyl (3R)-3-[(E)-3-methylsulfonyloxyprop-1-enyl]morpholine-4-carboxylate
CID 87947287
(1E,3E)-4-bromo-1-N'-methylbuta-1,3-diene-1,1,4-triamine;ethane;4-methylsulfinylmorpholine-3-carbaldehyde
CID 176993327
methyl 2-amino-2-methyl-4-(3-methylmorpholin-4-yl)pentanoate
CID 64711913
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde?
The IUPAC name of 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde (CID 167217783) is 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde.
What is the SMILES notation for 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde?
The canonical SMILES for 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde is CC(C)(C)OC(O)N1CCOCC1C=O.
What is the InChIKey of 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde?
The InChIKey is ZYDKUZHWHYSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde?
4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde has a molecular weight of 217.26 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholine-3-carbaldehyde is sourced from PubChem (CID 167217783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).