tert-butyl formate;1,3-oxazolidine

C8H17NO3 — CID 174393866

IUPACtert-butyl formate;1,3-oxazolidine
SMILESC1COCN1.CC(C)(C)OC=O
InChIInChI=1S/C5H10O2.C3H7NO/c1-5(2,3)7-4-6;1-2-5-3-4-1/h4H,1-3H3;4H,1-3H2
InChIKeyYNTUFFWKRMGYEW-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.52
Rot. Bonds1

About tert-butyl formate;1,3-oxazolidine

tert-butyl formate;1,3-oxazolidine (PubChem CID 174393866) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl formate;1,3-oxazolidine.

Molecular Properties

Compound Nametert-butyl formate;1,3-oxazolidine
PubChem CID174393866
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl formate;1,3-oxazolidine
SMILESC1COCN1.CC(C)(C)OC=O
InChIInChI=1S/C5H10O2.C3H7NO/c1-5(2,3)7-4-6;1-2-5-3-4-1/h4H,1-3H3;4H,1-3H2
InChIKeyYNTUFFWKRMGYEW-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1,3-oxazolidine?
The IUPAC name of tert-butyl formate;1,3-oxazolidine (CID 174393866) is tert-butyl formate;1,3-oxazolidine.
What is the SMILES notation for tert-butyl formate;1,3-oxazolidine?
The canonical SMILES for tert-butyl formate;1,3-oxazolidine is C1COCN1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;1,3-oxazolidine?
The InChIKey is YNTUFFWKRMGYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H7NO/c1-5(2,3)7-4-6;1-2-5-3-4-1/h4H,1-3H3;4H,1-3H2.
What are the key properties of tert-butyl formate;1,3-oxazolidine?
tert-butyl formate;1,3-oxazolidine has a molecular weight of 175.23 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1,3-oxazolidine is sourced from PubChem (CID 174393866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).