7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane

C10H21NO3 — CID 156549569

IUPAC7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane
SMILESCOCCOCC1CCN(C)CCO1
InChIInChI=1S/C10H21NO3/c1-11-4-3-10(14-6-5-11)9-13-8-7-12-2/h10H,3-9H2,1-2H3
InChIKeyLQBGRLWCTBSEHM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.37
Rot. Bonds5

About 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane

7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane (PubChem CID 156549569) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane.

Molecular Properties

Compound Name7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane
PubChem CID156549569
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane
SMILESCOCCOCC1CCN(C)CCO1
InChIInChI=1S/C10H21NO3/c1-11-4-3-10(14-6-5-11)9-13-8-7-12-2/h10H,3-9H2,1-2H3
InChIKeyLQBGRLWCTBSEHM-UHFFFAOYSA-N
XLogP0.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane?
The IUPAC name of 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane (CID 156549569) is 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane.
What is the SMILES notation for 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane?
The canonical SMILES for 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane is COCCOCC1CCN(C)CCO1.
What is the InChIKey of 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane?
The InChIKey is LQBGRLWCTBSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-11-4-3-10(14-6-5-11)9-13-8-7-12-2/h10H,3-9H2,1-2H3.
What are the key properties of 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane?
7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane has a molecular weight of 203.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxymethyl)-4-methyl-1,4-oxazepane is sourced from PubChem (CID 156549569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).