ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate

C13H23NO4 — CID 11021525

IUPACethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate
SMILESCCCC1(CCC)C(=O)OCC1NC(=O)OCC
InChIInChI=1S/C13H23NO4/c1-4-7-13(8-5-2)10(9-18-11(13)15)14-12(16)17-6-3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyLBNYSXXSKWRBHU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.24
Rot. Bonds6

About ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate

ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate (PubChem CID 11021525) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate
PubChem CID11021525
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate
SMILESCCCC1(CCC)C(=O)OCC1NC(=O)OCC
InChIInChI=1S/C13H23NO4/c1-4-7-13(8-5-2)10(9-18-11(13)15)14-12(16)17-6-3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyLBNYSXXSKWRBHU-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate?
The IUPAC name of ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate (CID 11021525) is ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate is CCCC1(CCC)C(=O)OCC1NC(=O)OCC.
What is the InChIKey of ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate?
The InChIKey is LBNYSXXSKWRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-4-7-13(8-5-2)10(9-18-11(13)15)14-12(16)17-6-3/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate?
ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate has a molecular weight of 257.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-oxo-4,4-dipropyloxolan-3-yl)carbamate is sourced from PubChem (CID 11021525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).