actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane

C38H80AcN2O6 — CID 159783546

IUPACactinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane
SMILESCC.CC.CC.CC.CC.CCOC.CCOC.CCOC(=O)N(C)C.CCOC(=O)N(C)C.[Ac].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C5H11NO2.2C3H8O.5C2H6.Ac/c2*1-2-4-6-5-3-1;2*1-4-8-5(7)6(2)3;2*1-3-4-2;5*1-2;/h2*1-6H;2*4H2,1-3H3;2*3H2,1-2H3;5*1-2H3;
InChIKeyNHQYDUHASMFWSZ-UHFFFAOYSA-N
MW888.07 g/mol
LogP11.22
Rot. Bonds4

About actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane

actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane (PubChem CID 159783546) has the molecular formula C38H80AcN2O6 and a molecular weight of 888.07 g/mol. Its IUPAC name is actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane.

Molecular Properties

Compound Nameactinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane
PubChem CID159783546
Molecular FormulaC38H80AcN2O6
Molecular Weight888.07 g/mol
Exact Mass887.63
IUPAC Nameactinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane
SMILESCC.CC.CC.CC.CC.CCOC.CCOC.CCOC(=O)N(C)C.CCOC(=O)N(C)C.[Ac].c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C5H11NO2.2C3H8O.5C2H6.Ac/c2*1-2-4-6-5-3-1;2*1-4-8-5(7)6(2)3;2*1-3-4-2;5*1-2;/h2*1-6H;2*4H2,1-3H3;2*3H2,1-2H3;5*1-2H3;
InChIKeyNHQYDUHASMFWSZ-UHFFFAOYSA-N
XLogP11.22
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.07
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane?
The IUPAC name of actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane (CID 159783546) is actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane.
What is the SMILES notation for actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane?
The canonical SMILES for actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane is CC.CC.CC.CC.CC.CCOC.CCOC.CCOC(=O)N(C)C.CCOC(=O)N(C)C.[Ac].c1ccccc1.c1ccccc1.
What is the InChIKey of actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane?
The InChIKey is NHQYDUHASMFWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C5H11NO2.2C3H8O.5C2H6.Ac/c2*1-2-4-6-5-3-1;2*1-4-8-5(7)6(2)3;2*1-3-4-2;5*1-2;/h2*1-6H;2*4H2,1-3H3;2*3H2,1-2H3;5*1-2H3;.
What are the key properties of actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane?
actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane has a molecular weight of 888.07 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;benzene;ethane;bis(ethyl N,N-dimethylcarbamate);methoxyethane is sourced from PubChem (CID 159783546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).