4-cyclodecyl-2,6-dimethylmorpholine acetate

C18H34NO3- — CID 21278745

IUPAC4-cyclodecyl-2,6-dimethylmorpholine acetate
SMILESCC(=O)[O-].CC1CN(C2CCCCCCCCC2)CC(C)O1
InChIInChI=1S/C16H31NO.C2H4O2/c1-14-12-17(13-15(2)18-14)16-10-8-6-4-3-5-7-9-11-16;1-2(3)4/h14-16H,3-13H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyYISWLIADKXFJBR-UHFFFAOYSA-M
MW312.47 g/mol
LogP2.74
Rot. Bonds1

About 4-cyclodecyl-2,6-dimethylmorpholine acetate

4-cyclodecyl-2,6-dimethylmorpholine acetate (PubChem CID 21278745) has the molecular formula C18H34NO3- and a molecular weight of 312.47 g/mol. Its IUPAC name is 4-cyclodecyl-2,6-dimethylmorpholine acetate.

Molecular Properties

Compound Name4-cyclodecyl-2,6-dimethylmorpholine acetate
PubChem CID21278745
Molecular FormulaC18H34NO3-
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name4-cyclodecyl-2,6-dimethylmorpholine acetate
SMILESCC(=O)[O-].CC1CN(C2CCCCCCCCC2)CC(C)O1
InChIInChI=1S/C16H31NO.C2H4O2/c1-14-12-17(13-15(2)18-14)16-10-8-6-4-3-5-7-9-11-16;1-2(3)4/h14-16H,3-13H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyYISWLIADKXFJBR-UHFFFAOYSA-M
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclodecyl-2,6-dimethylmorpholine acetate?
The IUPAC name of 4-cyclodecyl-2,6-dimethylmorpholine acetate (CID 21278745) is 4-cyclodecyl-2,6-dimethylmorpholine acetate.
What is the SMILES notation for 4-cyclodecyl-2,6-dimethylmorpholine acetate?
The canonical SMILES for 4-cyclodecyl-2,6-dimethylmorpholine acetate is CC(=O)[O-].CC1CN(C2CCCCCCCCC2)CC(C)O1.
What is the InChIKey of 4-cyclodecyl-2,6-dimethylmorpholine acetate?
The InChIKey is YISWLIADKXFJBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H31NO.C2H4O2/c1-14-12-17(13-15(2)18-14)16-10-8-6-4-3-5-7-9-11-16;1-2(3)4/h14-16H,3-13H2,1-2H3;1H3,(H,3,4)/p-1.
What are the key properties of 4-cyclodecyl-2,6-dimethylmorpholine acetate?
4-cyclodecyl-2,6-dimethylmorpholine acetate has a molecular weight of 312.47 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclodecyl-2,6-dimethylmorpholine acetate is sourced from PubChem (CID 21278745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).