1-methoxyethyl carbamate;methoxymethane

C6H15NO4 — CID 23618921

IUPAC1-methoxyethyl carbamate;methoxymethane
SMILESCOC.COC(C)OC(N)=O
InChIInChI=1S/C4H9NO3.C2H6O/c1-3(7-2)8-4(5)6;1-3-2/h3H,1-2H3,(H2,5,6);1-2H3
InChIKeyGAKVQNUVNBMFCR-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.34
Rot. Bonds2

About 1-methoxyethyl carbamate;methoxymethane

1-methoxyethyl carbamate;methoxymethane (PubChem CID 23618921) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-methoxyethyl carbamate;methoxymethane.

Molecular Properties

Compound Name1-methoxyethyl carbamate;methoxymethane
PubChem CID23618921
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name1-methoxyethyl carbamate;methoxymethane
SMILESCOC.COC(C)OC(N)=O
InChIInChI=1S/C4H9NO3.C2H6O/c1-3(7-2)8-4(5)6;1-3-2/h3H,1-2H3,(H2,5,6);1-2H3
InChIKeyGAKVQNUVNBMFCR-UHFFFAOYSA-N
XLogP0.34
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
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 1-methoxyethyl carbamate;methoxymethane?
The IUPAC name of 1-methoxyethyl carbamate;methoxymethane (CID 23618921) is 1-methoxyethyl carbamate;methoxymethane.
What is the SMILES notation for 1-methoxyethyl carbamate;methoxymethane?
The canonical SMILES for 1-methoxyethyl carbamate;methoxymethane is COC.COC(C)OC(N)=O.
What is the InChIKey of 1-methoxyethyl carbamate;methoxymethane?
The InChIKey is GAKVQNUVNBMFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C2H6O/c1-3(7-2)8-4(5)6;1-3-2/h3H,1-2H3,(H2,5,6);1-2H3.
What are the key properties of 1-methoxyethyl carbamate;methoxymethane?
1-methoxyethyl carbamate;methoxymethane has a molecular weight of 165.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl carbamate;methoxymethane is sourced from PubChem (CID 23618921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).