ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)

C14H36Mo2O2SSe — CID 159022649

IUPACethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCSCC.CC[Se]CC.[Mo].[Mo]
InChIInChI=1S/C4H10S.C4H10Se.2C3H8O.2Mo/c2*1-3-5-4-2;2*1-3(2)4;;/h2*3-4H2,1-2H3;2*3-4H,1-2H3;;
InChIKeyJTWVBLYWORRZDX-UHFFFAOYSA-N
MW539.35 g/mol
LogP4.10
Rot. Bonds4

About ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)

ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) (PubChem CID 159022649) has the molecular formula C14H36Mo2O2SSe and a molecular weight of 539.35 g/mol. Its IUPAC name is ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol).

Molecular Properties

Compound Nameethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)
PubChem CID159022649
Molecular FormulaC14H36Mo2O2SSe
Molecular Weight539.35 g/mol
Exact Mass543.97
IUPAC Nameethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCSCC.CC[Se]CC.[Mo].[Mo]
InChIInChI=1S/C4H10S.C4H10Se.2C3H8O.2Mo/c2*1-3-5-4-2;2*1-3(2)4;;/h2*3-4H2,1-2H3;2*3-4H,1-2H3;;
InChIKeyJTWVBLYWORRZDX-UHFFFAOYSA-N
XLogP4.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
CID 174755451
CID 174755451
ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;phosphane
CID 88694996
molybdenum;bis(propan-2-ol)
CID 139825284
ethylsulfanylethane;palladium;dichloride
CID 101326267
3-methyl-3-propylhexan-2-ol
CID 20501676
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
pentakis(butan-2-ol);molybdenum
CID 152613437
3,4,4-trimethylhexane-2,3-diol
CID 67159588
4-amino-1-ethylsulfanyl-4-methylpentan-3-ol
CID 116504442
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290

Frequently Asked Questions

What is the IUPAC name of ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)?
The IUPAC name of ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) (CID 159022649) is ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol).
What is the SMILES notation for ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)?
The canonical SMILES for ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) is CC(C)O.CC(C)O.CCSCC.CC[Se]CC.[Mo].[Mo].
What is the InChIKey of ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)?
The InChIKey is JTWVBLYWORRZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.C4H10Se.2C3H8O.2Mo/c2*1-3-5-4-2;2*1-3(2)4;;/h2*3-4H2,1-2H3;2*3-4H,1-2H3;;.
What are the key properties of ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol)?
ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) has a molecular weight of 539.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylselanylethane;ethylsulfanylethane;molybdenum;bis(propan-2-ol) is sourced from PubChem (CID 159022649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).