3-(octoxymethyl)-1,3-oxazolidine

C12H25NO2 — CID 164576930

IUPAC3-(octoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCCOCN1CCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-9-14-11-13-8-10-15-12-13/h2-12H2,1H3
InChIKeyTWAIHZPMTJDAJQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds9

About 3-(octoxymethyl)-1,3-oxazolidine

3-(octoxymethyl)-1,3-oxazolidine (PubChem CID 164576930) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(octoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(octoxymethyl)-1,3-oxazolidine
PubChem CID164576930
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(octoxymethyl)-1,3-oxazolidine
SMILESCCCCCCCCOCN1CCOC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-6-7-9-14-11-13-8-10-15-12-13/h2-12H2,1H3
InChIKeyTWAIHZPMTJDAJQ-UHFFFAOYSA-N
XLogP2.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(octoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(octoxymethyl)-1,3-oxazolidine (CID 164576930) is 3-(octoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(octoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(octoxymethyl)-1,3-oxazolidine is CCCCCCCCOCN1CCOC1.
What is the InChIKey of 3-(octoxymethyl)-1,3-oxazolidine?
The InChIKey is TWAIHZPMTJDAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-9-14-11-13-8-10-15-12-13/h2-12H2,1H3.
What are the key properties of 3-(octoxymethyl)-1,3-oxazolidine?
3-(octoxymethyl)-1,3-oxazolidine has a molecular weight of 215.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).