ethane;bis(methyl N-methylcarbamate)

C8H20N2O4 — CID 91355167

IUPACethane;bis(methyl N-methylcarbamate)
SMILESCC.CNC(=O)OC.CNC(=O)OC
InChIInChI=1S/2C3H7NO2.C2H6/c2*1-4-3(5)6-2;1-2/h2*1-2H3,(H,4,5);1-2H3
InChIKeyJBCZZKWNKOJNMF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.97
Rot. Bonds

About ethane;bis(methyl N-methylcarbamate)

ethane;bis(methyl N-methylcarbamate) (PubChem CID 91355167) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane;bis(methyl N-methylcarbamate).

Molecular Properties

Compound Nameethane;bis(methyl N-methylcarbamate)
PubChem CID91355167
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC Nameethane;bis(methyl N-methylcarbamate)
SMILESCC.CNC(=O)OC.CNC(=O)OC
InChIInChI=1S/2C3H7NO2.C2H6/c2*1-4-3(5)6-2;1-2/h2*1-2H3,(H,4,5);1-2H3
InChIKeyJBCZZKWNKOJNMF-UHFFFAOYSA-N
XLogP0.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methane;bis(methyl N-methylcarbamate)
CID 159560145
tert-butyl N-methylcarbamate;ethane
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methanamine;methyl N-methylcarbamate;trichloromethyl carbonochloridate
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methanamine;methanediamine;methyl carbonochloridate;methyl N-[(methoxycarbonylamino)methyl]carbamate;methyl N-methylcarbamate
CID 157481360
methane;methyl butanoate;bis(methyl N-methylcarbamate);methyl pentanoate
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methane;methyl N-(methylamino)carbamate
CID 157051214
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
ethane;propyl N-methylcarbamate
CID 142560404
methyliodanuidyl N-methylcarbamate
CID 146751906
3,7-dimethoxybicyclo[3.1.1]hepta-1(6),2,4-triene;methyl N-methylcarbamate
CID 23109856
dimethyl carbonate;ethane
CID 160632176

Frequently Asked Questions

What is the IUPAC name of ethane;bis(methyl N-methylcarbamate)?
The IUPAC name of ethane;bis(methyl N-methylcarbamate) (CID 91355167) is ethane;bis(methyl N-methylcarbamate).
What is the SMILES notation for ethane;bis(methyl N-methylcarbamate)?
The canonical SMILES for ethane;bis(methyl N-methylcarbamate) is CC.CNC(=O)OC.CNC(=O)OC.
What is the InChIKey of ethane;bis(methyl N-methylcarbamate)?
The InChIKey is JBCZZKWNKOJNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NO2.C2H6/c2*1-4-3(5)6-2;1-2/h2*1-2H3,(H,4,5);1-2H3.
What are the key properties of ethane;bis(methyl N-methylcarbamate)?
ethane;bis(methyl N-methylcarbamate) has a molecular weight of 208.26 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(methyl N-methylcarbamate) is sourced from PubChem (CID 91355167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).