3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride

C11H20ClNO2 — CID 82041291

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
SMILESCC1CN(CC(C)(C)C(=O)Cl)CC(C)O1
InChIInChI=1S/C11H20ClNO2/c1-8-5-13(6-9(2)15-8)7-11(3,4)10(12)14/h8-9H,5-7H2,1-4H3
InChIKeySQZKSZGOVCPYJQ-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride

3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride (PubChem CID 82041291) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
PubChem CID82041291
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride
SMILESCC1CN(CC(C)(C)C(=O)Cl)CC(C)O1
InChIInChI=1S/C11H20ClNO2/c1-8-5-13(6-9(2)15-8)7-11(3,4)10(12)14/h8-9H,5-7H2,1-4H3
InChIKeySQZKSZGOVCPYJQ-UHFFFAOYSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 22683272
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-one
CID 43219275
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pentan-3-ol
CID 103936738
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64795630
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
2-chloro-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 104961253
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylpropan-2-ol
CID 102934996

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride (CID 82041291) is 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride is CC1CN(CC(C)(C)C(=O)Cl)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride?
The InChIKey is SQZKSZGOVCPYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8-5-13(6-9(2)15-8)7-11(3,4)10(12)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride?
3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride has a molecular weight of 233.74 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropanoyl chloride is sourced from PubChem (CID 82041291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).