benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane

C41H90N2O6 — CID 158679758

IUPACbenzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane
SMILESCC.CC.CC.CC.CC.CC.CC(=O)N(C)C.CCO.CCOC.CCOC.CCOC(=O)N(C)C.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H11NO2.C4H9NO.2C3H8O.C2H6O.6C2H6/c2*1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-4(6)5(2)3;2*1-3-4-2;1-2-3;6*1-2/h2*1-6H;4H2,1-3H3;1-3H3;2*3H2,1-2H3;3H,2H2,1H3;6*1-2H3
InChIKeyIEYVKTTZYONYJX-UHFFFAOYSA-N
MW707.18 g/mol
LogP11.63
Rot. Bonds3

About benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane

benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane (PubChem CID 158679758) has the molecular formula C41H90N2O6 and a molecular weight of 707.18 g/mol. Its IUPAC name is benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane.

Molecular Properties

Compound Namebenzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane
PubChem CID158679758
Molecular FormulaC41H90N2O6
Molecular Weight707.18 g/mol
Exact Mass706.68
IUPAC Namebenzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane
SMILESCC.CC.CC.CC.CC.CC.CC(=O)N(C)C.CCO.CCOC.CCOC.CCOC(=O)N(C)C.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C5H11NO2.C4H9NO.2C3H8O.C2H6O.6C2H6/c2*1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-4(6)5(2)3;2*1-3-4-2;1-2-3;6*1-2/h2*1-6H;4H2,1-3H3;1-3H3;2*3H2,1-2H3;3H,2H2,1H3;6*1-2H3
InChIKeyIEYVKTTZYONYJX-UHFFFAOYSA-N
XLogP11.63
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.18
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane?
The IUPAC name of benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane (CID 158679758) is benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane.
What is the SMILES notation for benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane?
The canonical SMILES for benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane is CC.CC.CC.CC.CC.CC.CC(=O)N(C)C.CCO.CCOC.CCOC.CCOC(=O)N(C)C.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane?
The InChIKey is IEYVKTTZYONYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C5H11NO2.C4H9NO.2C3H8O.C2H6O.6C2H6/c2*1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-4(6)5(2)3;2*1-3-4-2;1-2-3;6*1-2/h2*1-6H;4H2,1-3H3;1-3H3;2*3H2,1-2H3;3H,2H2,1H3;6*1-2H3.
What are the key properties of benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane?
benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane has a molecular weight of 707.18 g/mol, XLogP of 11.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-dimethylacetamide;ethane;ethanol;ethyl N,N-dimethylcarbamate;methoxyethane is sourced from PubChem (CID 158679758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).