(4,5-ditert-butylmorpholin-3-yl)methanol

C13H27NO2 — CID 148550763

IUPAC(4,5-ditert-butylmorpholin-3-yl)methanol
SMILESCC(C)(C)C1COCC(CO)N1C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)11-9-16-8-10(7-15)14(11)13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyMTCJFOPGJSLSKE-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds1

About (4,5-ditert-butylmorpholin-3-yl)methanol

(4,5-ditert-butylmorpholin-3-yl)methanol (PubChem CID 148550763) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (4,5-ditert-butylmorpholin-3-yl)methanol.

Molecular Properties

Compound Name(4,5-ditert-butylmorpholin-3-yl)methanol
PubChem CID148550763
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(4,5-ditert-butylmorpholin-3-yl)methanol
SMILESCC(C)(C)C1COCC(CO)N1C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)11-9-16-8-10(7-15)14(11)13(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyMTCJFOPGJSLSKE-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-ditert-butyl-5-ethylmorpholine
CID 70884419
3,4-ditert-butyl-5-(methoxymethyl)morpholine
CID 153289782
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
(3R)-3-tert-butyl-4-hydroxymorpholine
CID 167169311
[(5S)-1,5-ditert-butylpyrrolidin-3-yl]methanol
CID 123267586
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(4-methyloxolan-3-yl)methanol
CID 53402099
(1-tert-butylazepan-2-yl)methanol
CID 84660252
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
[(5R)-4-methyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methanol
CID 130991413

Frequently Asked Questions

What is the IUPAC name of (4,5-ditert-butylmorpholin-3-yl)methanol?
The IUPAC name of (4,5-ditert-butylmorpholin-3-yl)methanol (CID 148550763) is (4,5-ditert-butylmorpholin-3-yl)methanol.
What is the SMILES notation for (4,5-ditert-butylmorpholin-3-yl)methanol?
The canonical SMILES for (4,5-ditert-butylmorpholin-3-yl)methanol is CC(C)(C)C1COCC(CO)N1C(C)(C)C.
What is the InChIKey of (4,5-ditert-butylmorpholin-3-yl)methanol?
The InChIKey is MTCJFOPGJSLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)11-9-16-8-10(7-15)14(11)13(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of (4,5-ditert-butylmorpholin-3-yl)methanol?
(4,5-ditert-butylmorpholin-3-yl)methanol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-ditert-butylmorpholin-3-yl)methanol is sourced from PubChem (CID 148550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).