3-(pentoxymethyl)-1,3-oxazolidine

C9H19NO2 — CID 164576907

IUPAC3-(pentoxymethyl)-1,3-oxazolidine
SMILESCCCCCOCN1CCOC1
InChIInChI=1S/C9H19NO2/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-9H2,1H3
InChIKeyNIJAPIRAMAVYBO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds6

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

3-(pentoxymethyl)-1,3-oxazolidine (PubChem CID 164576907) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(pentoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(pentoxymethyl)-1,3-oxazolidine
PubChem CID164576907
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(pentoxymethyl)-1,3-oxazolidine
SMILESCCCCCOCN1CCOC1
InChIInChI=1S/C9H19NO2/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-9H2,1H3
InChIKeyNIJAPIRAMAVYBO-UHFFFAOYSA-N
XLogP1.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
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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Related Compounds

4-(2-hexoxyethyl)morpholine
CID 3326674
3-(2-methylpropoxymethyl)-1,3-oxazolidine
CID 154368992
1,4-dioxane;1-pentoxypentane
CID 174356603
4-(4-ethoxybutyl)morpholine
CID 10726253
3-(3-methyl-3-pentylnonyl)-1,3-oxazolidine
CID 134441561
4-hexylmorpholine
CID 3614751
1-butoxy-3-morpholin-4-ylpropane-2-thiol
CID 14937158
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
CID 171540702
butane;4-butylmorpholine
CID 177152600
1-butoxybutane;oxane
CID 22595543
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007

Frequently Asked Questions

What is the IUPAC name of 3-(pentoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(pentoxymethyl)-1,3-oxazolidine (CID 164576907) is 3-(pentoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(pentoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(pentoxymethyl)-1,3-oxazolidine is CCCCCOCN1CCOC1.
What is the InChIKey of 3-(pentoxymethyl)-1,3-oxazolidine?
The InChIKey is NIJAPIRAMAVYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-6-11-8-10-5-7-12-9-10/h2-9H2,1H3.
What are the key properties of 3-(pentoxymethyl)-1,3-oxazolidine?
3-(pentoxymethyl)-1,3-oxazolidine has a molecular weight of 173.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).