1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol

C11H23NO3 — CID 23528945

IUPAC1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol
SMILESCCC(O)COCCN1CCOC1(C)C
InChIInChI=1S/C11H23NO3/c1-4-10(13)9-14-7-5-12-6-8-15-11(12,2)3/h10,13H,4-9H2,1-3H3
InChIKeyDFLRWVMYIBVIEW-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.84
Rot. Bonds6

About 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol

1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol (PubChem CID 23528945) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol
PubChem CID23528945
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol
SMILESCCC(O)COCCN1CCOC1(C)C
InChIInChI=1S/C11H23NO3/c1-4-10(13)9-14-7-5-12-6-8-15-11(12,2)3/h10,13H,4-9H2,1-3H3
InChIKeyDFLRWVMYIBVIEW-UHFFFAOYSA-N
XLogP0.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
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 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol?
The IUPAC name of 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol (CID 23528945) is 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol.
What is the SMILES notation for 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol?
The canonical SMILES for 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol is CCC(O)COCCN1CCOC1(C)C.
What is the InChIKey of 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol?
The InChIKey is DFLRWVMYIBVIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-10(13)9-14-7-5-12-6-8-15-11(12,2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol?
1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethoxy]butan-2-ol is sourced from PubChem (CID 23528945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).