[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate

C8H14N2O6 — CID 110174574

IUPAC[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
SMILESNC(=O)OCC1(COC(N)=O)COCOC1
InChIInChI=1S/C8H14N2O6/c9-6(11)15-3-8(4-16-7(10)12)1-13-5-14-2-8/h1-5H2,(H2,9,11)(H2,10,12)
InChIKeyADTHDDAXMFCBIE-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.83
Rot. Bonds4

About [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate

[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate (PubChem CID 110174574) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate.

Molecular Properties

Compound Name[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
PubChem CID110174574
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate
SMILESNC(=O)OCC1(COC(N)=O)COCOC1
InChIInChI=1S/C8H14N2O6/c9-6(11)15-3-8(4-16-7(10)12)1-13-5-14-2-8/h1-5H2,(H2,9,11)(H2,10,12)
InChIKeyADTHDDAXMFCBIE-UHFFFAOYSA-N
XLogP-0.83
TPSA123.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dioxan-2-yl carbamate
CID 21452255
(5-Methyl-2-oxo-1,3-dioxan-5-yl)methyl carbamate
CID 68207129
(5-Methyl-1,3-dioxan-5-yl)methyl carbamate
CID 144240621
Molecular hydrogen;(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl carbamate
CID 144240622
(2,2,5-Trimethyl-1,3-dioxan-5-yl)methyl carbamate
CID 144240623

Frequently Asked Questions

What is the IUPAC name of [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate?
The IUPAC name of [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate (CID 110174574) is [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate.
What is the SMILES notation for [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate?
The canonical SMILES for [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate is NC(=O)OCC1(COC(N)=O)COCOC1.
What is the InChIKey of [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate?
The InChIKey is ADTHDDAXMFCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c9-6(11)15-3-8(4-16-7(10)12)1-13-5-14-2-8/h1-5H2,(H2,9,11)(H2,10,12).
What are the key properties of [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate?
[5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate has a molecular weight of 234.21 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(carbamoyloxymethyl)-1,3-dioxan-5-yl]methyl carbamate is sourced from PubChem (CID 110174574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).