bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc

C16H35BiO4Zn — CID 174923880

IUPACbismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc
SMILESCCCCC(CC)C(=O)O.CCCCCC(=O)OCC.[BiH3].[Zn]
InChIInChI=1S/2C8H16O2.Bi.Zn.3H/c1-3-5-6-7-8(9)10-4-2;1-3-5-6-7(4-2)8(9)10;;;;;/h3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10);;;;;
InChIKeyBFVORXNUNZDMNR-UHFFFAOYSA-N
MW565.82 g/mol
LogP3.23
Rot. Bonds10

About bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc

bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc (PubChem CID 174923880) has the molecular formula C16H35BiO4Zn and a molecular weight of 565.82 g/mol. Its IUPAC name is bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc.

Molecular Properties

Compound Namebismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc
PubChem CID174923880
Molecular FormulaC16H35BiO4Zn
Molecular Weight565.82 g/mol
Exact Mass564.16
IUPAC Namebismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc
SMILESCCCCC(CC)C(=O)O.CCCCCC(=O)OCC.[BiH3].[Zn]
InChIInChI=1S/2C8H16O2.Bi.Zn.3H/c1-3-5-6-7-8(9)10-4-2;1-3-5-6-7(4-2)8(9)10;;;;;/h3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10);;;;;
InChIKeyBFVORXNUNZDMNR-UHFFFAOYSA-N
XLogP3.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-hydroxyhexanoate;2-ethyl-6-hydroxyhexanoic acid
CID 87401708
2-ethylhexanoic acid;hexadecane
CID 174408772
butyl heptanoate;2-butylnonanoic acid;2-butyloctanoic acid
CID 90370828
sodium;ethyl acetate;2-ethylhexanoic acid;hydride
CID 173249720
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
ethyl tetradecanoate
CID 89052756

Frequently Asked Questions

What is the IUPAC name of bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc?
The IUPAC name of bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc (CID 174923880) is bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc.
What is the SMILES notation for bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc?
The canonical SMILES for bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc is CCCCC(CC)C(=O)O.CCCCCC(=O)OCC.[BiH3].[Zn].
What is the InChIKey of bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc?
The InChIKey is BFVORXNUNZDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.Bi.Zn.3H/c1-3-5-6-7-8(9)10-4-2;1-3-5-6-7(4-2)8(9)10;;;;;/h3-7H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10);;;;;.
What are the key properties of bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc?
bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc has a molecular weight of 565.82 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;ethyl hexanoate;2-ethylhexanoic acid;zinc is sourced from PubChem (CID 174923880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).