ethyl acetate;nickel;pentahydrate

C4H18NiO7 — CID 175168185

IUPACethyl acetate;nickel;pentahydrate
SMILESCCOC(C)=O.O.O.O.O.O.[Ni]
InChIInChI=1S/C4H8O2.Ni.5H2O/c1-3-6-4(2)5;;;;;;/h3H2,1-2H3;;5*1H2
InChIKeyCVOJMRVPELPOOM-UHFFFAOYSA-N
MW236.87 g/mol
LogP-3.56
Rot. Bonds1

About ethyl acetate;nickel;pentahydrate

ethyl acetate;nickel;pentahydrate (PubChem CID 175168185) has the molecular formula C4H18NiO7 and a molecular weight of 236.87 g/mol. Its IUPAC name is ethyl acetate;nickel;pentahydrate.

Molecular Properties

Compound Nameethyl acetate;nickel;pentahydrate
PubChem CID175168185
Molecular FormulaC4H18NiO7
Molecular Weight236.87 g/mol
Exact Mass236.04
IUPAC Nameethyl acetate;nickel;pentahydrate
SMILESCCOC(C)=O.O.O.O.O.O.[Ni]
InChIInChI=1S/C4H8O2.Ni.5H2O/c1-3-6-4(2)5;;;;;;/h3H2,1-2H3;;5*1H2
InChIKeyCVOJMRVPELPOOM-UHFFFAOYSA-N
XLogP-3.56
TPSA183.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.87
LogP ≤ 5-3.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;nickel;pentahydrate?
The IUPAC name of ethyl acetate;nickel;pentahydrate (CID 175168185) is ethyl acetate;nickel;pentahydrate.
What is the SMILES notation for ethyl acetate;nickel;pentahydrate?
The canonical SMILES for ethyl acetate;nickel;pentahydrate is CCOC(C)=O.O.O.O.O.O.[Ni].
What is the InChIKey of ethyl acetate;nickel;pentahydrate?
The InChIKey is CVOJMRVPELPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Ni.5H2O/c1-3-6-4(2)5;;;;;;/h3H2,1-2H3;;5*1H2.
What are the key properties of ethyl acetate;nickel;pentahydrate?
ethyl acetate;nickel;pentahydrate has a molecular weight of 236.87 g/mol, XLogP of -3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;nickel;pentahydrate is sourced from PubChem (CID 175168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).