[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate

C13H23NO4 — CID 72765932

IUPAC[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CCCC(C(=O)NC(C)(C)C)O1
InChIInChI=1S/C13H23NO4/c1-9(15)17-8-10-6-5-7-11(18-10)12(16)14-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyRTIYLZJICIPFAP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.40
Rot. Bonds3

About [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate

[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate (PubChem CID 72765932) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate
PubChem CID72765932
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CCCC(C(=O)NC(C)(C)C)O1
InChIInChI=1S/C13H23NO4/c1-9(15)17-8-10-6-5-7-11(18-10)12(16)14-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyRTIYLZJICIPFAP-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate?
The IUPAC name of [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate (CID 72765932) is [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate.
What is the SMILES notation for [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate?
The canonical SMILES for [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate is CC(=O)OCC1CCCC(C(=O)NC(C)(C)C)O1.
What is the InChIKey of [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate?
The InChIKey is RTIYLZJICIPFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)17-8-10-6-5-7-11(18-10)12(16)14-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate?
[6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate has a molecular weight of 257.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(tert-butylcarbamoyl)oxan-2-yl]methyl acetate is sourced from PubChem (CID 72765932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).