oxolan-3-yl N-tert-butylcarbamate

C9H17NO3 — CID 20765341

IUPACoxolan-3-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyOALKSEWNRYXHPS-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.30
Rot. Bonds1

About oxolan-3-yl N-tert-butylcarbamate

oxolan-3-yl N-tert-butylcarbamate (PubChem CID 20765341) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxolan-3-yl N-tert-butylcarbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-tert-butylcarbamate
PubChem CID20765341
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxolan-3-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyOALKSEWNRYXHPS-UHFFFAOYSA-N
XLogP1.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-tert-butylcarbamate?
The IUPAC name of oxolan-3-yl N-tert-butylcarbamate (CID 20765341) is oxolan-3-yl N-tert-butylcarbamate.
What is the SMILES notation for oxolan-3-yl N-tert-butylcarbamate?
The canonical SMILES for oxolan-3-yl N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl N-tert-butylcarbamate?
The InChIKey is OALKSEWNRYXHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)10-8(11)13-7-4-5-12-6-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of oxolan-3-yl N-tert-butylcarbamate?
oxolan-3-yl N-tert-butylcarbamate has a molecular weight of 187.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-tert-butylcarbamate is sourced from PubChem (CID 20765341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).