4,5-ditert-butyl-2-(methoxymethyl)morpholine

C14H29NO2 — CID 147150938

IUPAC4,5-ditert-butyl-2-(methoxymethyl)morpholine
SMILESCOCC1CN(C(C)(C)C)C(C(C)(C)C)CO1
InChIInChI=1S/C14H29NO2/c1-13(2,3)12-10-17-11(9-16-7)8-15(12)14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyBTZAFIYIZFTMIM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.55
Rot. Bonds2

About 4,5-ditert-butyl-2-(methoxymethyl)morpholine

4,5-ditert-butyl-2-(methoxymethyl)morpholine (PubChem CID 147150938) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4,5-ditert-butyl-2-(methoxymethyl)morpholine
PubChem CID147150938
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4,5-ditert-butyl-2-(methoxymethyl)morpholine
SMILESCOCC1CN(C(C)(C)C)C(C(C)(C)C)CO1
InChIInChI=1S/C14H29NO2/c1-13(2,3)12-10-17-11(9-16-7)8-15(12)14(4,5)6/h11-12H,8-10H2,1-7H3
InChIKeyBTZAFIYIZFTMIM-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-(methoxymethyl)morpholine?
The IUPAC name of 4,5-ditert-butyl-2-(methoxymethyl)morpholine (CID 147150938) is 4,5-ditert-butyl-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4,5-ditert-butyl-2-(methoxymethyl)morpholine?
The canonical SMILES for 4,5-ditert-butyl-2-(methoxymethyl)morpholine is COCC1CN(C(C)(C)C)C(C(C)(C)C)CO1.
What is the InChIKey of 4,5-ditert-butyl-2-(methoxymethyl)morpholine?
The InChIKey is BTZAFIYIZFTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-13(2,3)12-10-17-11(9-16-7)8-15(12)14(4,5)6/h11-12H,8-10H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-2-(methoxymethyl)morpholine?
4,5-ditert-butyl-2-(methoxymethyl)morpholine has a molecular weight of 243.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-(methoxymethyl)morpholine is sourced from PubChem (CID 147150938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).