methyl N,N-bis(methoxymethyl)carbamate

C6H13NO4 — CID 13466906

IUPACmethyl N,N-bis(methoxymethyl)carbamate
SMILESCOCN(COC)C(=O)OC
InChIInChI=1S/C6H13NO4/c1-9-4-7(5-10-2)6(8)11-3/h4-5H2,1-3H3
InChIKeyUPDCZSDZRWUMOC-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.26
Rot. Bonds4

About methyl N,N-bis(methoxymethyl)carbamate

methyl N,N-bis(methoxymethyl)carbamate (PubChem CID 13466906) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is methyl N,N-bis(methoxymethyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(methoxymethyl)carbamate
PubChem CID13466906
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Namemethyl N,N-bis(methoxymethyl)carbamate
SMILESCOCN(COC)C(=O)OC
InChIInChI=1S/C6H13NO4/c1-9-4-7(5-10-2)6(8)11-3/h4-5H2,1-3H3
InChIKeyUPDCZSDZRWUMOC-UHFFFAOYSA-N
XLogP0.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-bis(methoxymethyl)carbamate?
The IUPAC name of methyl N,N-bis(methoxymethyl)carbamate (CID 13466906) is methyl N,N-bis(methoxymethyl)carbamate.
What is the SMILES notation for methyl N,N-bis(methoxymethyl)carbamate?
The canonical SMILES for methyl N,N-bis(methoxymethyl)carbamate is COCN(COC)C(=O)OC.
What is the InChIKey of methyl N,N-bis(methoxymethyl)carbamate?
The InChIKey is UPDCZSDZRWUMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-9-4-7(5-10-2)6(8)11-3/h4-5H2,1-3H3.
What are the key properties of methyl N,N-bis(methoxymethyl)carbamate?
methyl N,N-bis(methoxymethyl)carbamate has a molecular weight of 163.17 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(methoxymethyl)carbamate is sourced from PubChem (CID 13466906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).