3-(3-methylbutoxymethyl)-1,3-oxazolidine

C9H19NO2 — CID 164576906

IUPAC3-(3-methylbutoxymethyl)-1,3-oxazolidine
SMILESCC(C)CCOCN1CCOC1
InChIInChI=1S/C9H19NO2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9H,3-8H2,1-2H3
InChIKeySJDLPWLCSFBWBU-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.30
Rot. Bonds5

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

3-(3-methylbutoxymethyl)-1,3-oxazolidine (PubChem CID 164576906) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-methylbutoxymethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(3-methylbutoxymethyl)-1,3-oxazolidine
PubChem CID164576906
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(3-methylbutoxymethyl)-1,3-oxazolidine
SMILESCC(C)CCOCN1CCOC1
InChIInChI=1S/C9H19NO2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9H,3-8H2,1-2H3
InChIKeySJDLPWLCSFBWBU-UHFFFAOYSA-N
XLogP1.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.30
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

3-(Butoxymethyl)-1,3-oxazolidine
CID 14496315
3-[(2-Methylpropoxy)methyl]-1,3-oxazolidine
CID 154368992
3-Ethyl-2-(propan-2-yl)-1,3-oxazolidine
CID 258838
3-[(Pentyloxy)methyl]-1,3-oxazolidine
CID 164576907
3-(Butoxymethyl)-4,4-dimethyl-1,3-oxazolidine
CID 294821
Ethanamine,4-dimethyl-3-oxazolidinyl)methoxy]-N,N-dimethyl-
CID 327609
2-Ethyl-3-methyl-4-propan-2-yl-1,3-oxazolidine
CID 13086258
3-(2-Methylpropyl)-2-(propan-2-yl)-1,3-oxazolidine
CID 14934065
3-Methyl-4-propan-2-yl-1,3-oxazolidine
CID 14965776
2-Butan-2-yl-3-methyl-1,3-oxazolidine
CID 18718402
3-Tert-butyl-4-propan-2-yl-1,3-oxazolidine
CID 58403887
3,4-Di(propan-2-yl)-1,3-oxazolidine
CID 58916313

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxymethyl)-1,3-oxazolidine?
The IUPAC name of 3-(3-methylbutoxymethyl)-1,3-oxazolidine (CID 164576906) is 3-(3-methylbutoxymethyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(3-methylbutoxymethyl)-1,3-oxazolidine?
The canonical SMILES for 3-(3-methylbutoxymethyl)-1,3-oxazolidine is CC(C)CCOCN1CCOC1.
What is the InChIKey of 3-(3-methylbutoxymethyl)-1,3-oxazolidine?
The InChIKey is SJDLPWLCSFBWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9H,3-8H2,1-2H3.
What are the key properties of 3-(3-methylbutoxymethyl)-1,3-oxazolidine?
3-(3-methylbutoxymethyl)-1,3-oxazolidine has a molecular weight of 173.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxymethyl)-1,3-oxazolidine is sourced from PubChem (CID 164576906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).