ethoxyethane;methyl carbamate

C6H15NO3 — CID 18755981

IUPACethoxyethane;methyl carbamate
SMILESCCOCC.COC(N)=O
InChIInChI=1S/C4H10O.C2H5NO2/c1-3-5-4-2;1-5-2(3)4/h3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyKZQMNVCSRRNVJR-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.75
Rot. Bonds2

About ethoxyethane;methyl carbamate

ethoxyethane;methyl carbamate (PubChem CID 18755981) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is ethoxyethane;methyl carbamate.

Molecular Properties

Compound Nameethoxyethane;methyl carbamate
PubChem CID18755981
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Nameethoxyethane;methyl carbamate
SMILESCCOCC.COC(N)=O
InChIInChI=1S/C4H10O.C2H5NO2/c1-3-5-4-2;1-5-2(3)4/h3-4H2,1-2H3;1H3,(H2,3,4)
InChIKeyKZQMNVCSRRNVJR-UHFFFAOYSA-N
XLogP0.75
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;methyl carbamate?
The IUPAC name of ethoxyethane;methyl carbamate (CID 18755981) is ethoxyethane;methyl carbamate.
What is the SMILES notation for ethoxyethane;methyl carbamate?
The canonical SMILES for ethoxyethane;methyl carbamate is CCOCC.COC(N)=O.
What is the InChIKey of ethoxyethane;methyl carbamate?
The InChIKey is KZQMNVCSRRNVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H5NO2/c1-3-5-4-2;1-5-2(3)4/h3-4H2,1-2H3;1H3,(H2,3,4).
What are the key properties of ethoxyethane;methyl carbamate?
ethoxyethane;methyl carbamate has a molecular weight of 149.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;methyl carbamate is sourced from PubChem (CID 18755981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).