(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate

C13H25NO3 — CID 143503686

IUPAC(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11(15)17-13(4,5)10-12(2,3)14-6-8-16-9-7-14/h6-10H2,1-5H3
InChIKeyDPGAEYFYMFQYTK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds4

About (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate

(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate (PubChem CID 143503686) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate.

Molecular Properties

Compound Name(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate
PubChem CID143503686
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC(C)(C)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-11(15)17-13(4,5)10-12(2,3)14-6-8-16-9-7-14/h6-10H2,1-5H3
InChIKeyDPGAEYFYMFQYTK-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate?
The IUPAC name of (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate (CID 143503686) is (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate.
What is the SMILES notation for (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate?
The canonical SMILES for (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate is CC(=O)OC(C)(C)CC(C)(C)N1CCOCC1.
What is the InChIKey of (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate?
The InChIKey is DPGAEYFYMFQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(15)17-13(4,5)10-12(2,3)14-6-8-16-9-7-14/h6-10H2,1-5H3.
What are the key properties of (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate?
(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate is sourced from PubChem (CID 143503686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).