oxolan-3-yl N,N-ditert-butylcarbamate

C13H25NO3 — CID 58624052

IUPACoxolan-3-yl N,N-ditert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CCOC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)14(13(4,5)6)11(15)17-10-7-8-16-9-10/h10H,7-9H2,1-6H3
InChIKeyHLNGQTKLAHNYOW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds1

About oxolan-3-yl N,N-ditert-butylcarbamate

oxolan-3-yl N,N-ditert-butylcarbamate (PubChem CID 58624052) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is oxolan-3-yl N,N-ditert-butylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N,N-ditert-butylcarbamate
PubChem CID58624052
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameoxolan-3-yl N,N-ditert-butylcarbamate
SMILESCC(C)(C)N(C(=O)OC1CCOC1)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)14(13(4,5)6)11(15)17-10-7-8-16-9-10/h10H,7-9H2,1-6H3
InChIKeyHLNGQTKLAHNYOW-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N,N-ditert-butylcarbamate?
The IUPAC name of oxolan-3-yl N,N-ditert-butylcarbamate (CID 58624052) is oxolan-3-yl N,N-ditert-butylcarbamate.
What is the SMILES notation for oxolan-3-yl N,N-ditert-butylcarbamate?
The canonical SMILES for oxolan-3-yl N,N-ditert-butylcarbamate is CC(C)(C)N(C(=O)OC1CCOC1)C(C)(C)C.
What is the InChIKey of oxolan-3-yl N,N-ditert-butylcarbamate?
The InChIKey is HLNGQTKLAHNYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)14(13(4,5)6)11(15)17-10-7-8-16-9-10/h10H,7-9H2,1-6H3.
What are the key properties of oxolan-3-yl N,N-ditert-butylcarbamate?
oxolan-3-yl N,N-ditert-butylcarbamate has a molecular weight of 243.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N,N-ditert-butylcarbamate is sourced from PubChem (CID 58624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).