tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate

C10H17NO6 — CID 59641426

IUPACtert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)COC(=O)OC1
InChIInChI=1S/C10H17NO6/c1-9(2,3)17-7(13)11-10(4-12)5-15-8(14)16-6-10/h12H,4-6H2,1-3H3,(H,11,13)
InChIKeyNQTPGAMQHMMBRD-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.41
Rot. Bonds2

About tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate

tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate (PubChem CID 59641426) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
PubChem CID59641426
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Nametert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CO)COC(=O)OC1
InChIInChI=1S/C10H17NO6/c1-9(2,3)17-7(13)11-10(4-12)5-15-8(14)16-6-10/h12H,4-6H2,1-3H3,(H,11,13)
InChIKeyNQTPGAMQHMMBRD-UHFFFAOYSA-N
XLogP0.41
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate (CID 59641426) is tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate is CC(C)(C)OC(=O)NC1(CO)COC(=O)OC1.
What is the InChIKey of tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
The InChIKey is NQTPGAMQHMMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-9(2,3)17-7(13)11-10(4-12)5-15-8(14)16-6-10/h12H,4-6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate?
tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate has a molecular weight of 247.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(hydroxymethyl)-2-oxo-1,3-dioxan-5-yl]carbamate is sourced from PubChem (CID 59641426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).