3-(butoxymethyl)-1,3-oxazolidine

C8H17NO2 — CID 14496315

IUPAC3-(butoxymethyl)-1,3-oxazolidine
SMILESCCCCOCN1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-3-5-10-7-9-4-6-11-8-9/h2-8H2,1H3
InChIKeyIGKJNTGKZDLJCT-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds5

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

3-(butoxymethyl)-1,3-oxazolidine (PubChem CID 14496315) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(butoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(butoxymethyl)-1,3-oxazolidine
PubChem CID14496315
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(butoxymethyl)-1,3-oxazolidine
SMILESCCCCOCN1CCOC1
InChIInChI=1S/C8H17NO2/c1-2-3-5-10-7-9-4-6-11-8-9/h2-8H2,1H3
InChIKeyIGKJNTGKZDLJCT-UHFFFAOYSA-N
XLogP1.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
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

Oxazolidine, 3-methyl-
CID 214264
3-[(2-Methylpropoxy)methyl]-1,3-oxazolidine
CID 154368992
3,3-Dimethyl-1,3-oxazolidin-3-ium
CID 14859590
3-(Propoxymethyl)-1,3-oxazolidine
CID 86184530
3-[(Propan-2-yloxy)methyl]-1,3-oxazolidine
CID 164576895
3-[(3-Methylbutoxy)methyl]-1,3-oxazolidine
CID 164576906
3-[(Pentyloxy)methyl]-1,3-oxazolidine
CID 164576907
3-[(2-Ethoxyethoxy)methyl]-1,3-oxazolidine
CID 164576909
3-[(Hexyloxy)methyl]-1,3-oxazolidine
CID 164576911
3-[(Heptyloxy)methyl]-1,3-oxazolidine
CID 164576923
3-(Butoxymethyl)-4,4-dimethyl-1,3-oxazolidine
CID 294821
Ethanamine,4-dimethyl-3-oxazolidinyl)methoxy]-N,N-dimethyl-
CID 327609

Frequently Asked Questions

What is the IUPAC name of 3-(butoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(butoxymethyl)-1,3-oxazolidine (CID 14496315) is 3-(butoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(butoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(butoxymethyl)-1,3-oxazolidine is CCCCOCN1CCOC1.
What is the InChIKey of 3-(butoxymethyl)-1,3-oxazolidine?
The InChIKey is IGKJNTGKZDLJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-5-10-7-9-4-6-11-8-9/h2-8H2,1H3.
What are the key properties of 3-(butoxymethyl)-1,3-oxazolidine?
3-(butoxymethyl)-1,3-oxazolidine has a molecular weight of 159.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 14496315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).