3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one

C13H25NO4 — CID 71379047

IUPAC3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one
SMILESCOC(C(=O)N1CCOCC1)C(C)(O)CC(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)9-13(3,16)11(17-4)12(15)14-5-7-18-8-6-14/h10-11,16H,5-9H2,1-4H3
InChIKeyBQTLHEIMBQUAKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.66
Rot. Bonds5

About 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one

3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one (PubChem CID 71379047) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one
PubChem CID71379047
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one
SMILESCOC(C(=O)N1CCOCC1)C(C)(O)CC(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)9-13(3,16)11(17-4)12(15)14-5-7-18-8-6-14/h10-11,16H,5-9H2,1-4H3
InChIKeyBQTLHEIMBQUAKO-UHFFFAOYSA-N
XLogP0.66
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one (CID 71379047) is 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one is COC(C(=O)N1CCOCC1)C(C)(O)CC(C)C.
What is the InChIKey of 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is BQTLHEIMBQUAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(2)9-13(3,16)11(17-4)12(15)14-5-7-18-8-6-14/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one?
3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 259.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-3,5-dimethyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 71379047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).