ethyl hexanoate;gallane

C8H19GaO2 — CID 174708288

IUPACethyl hexanoate;gallane
SMILESCCCCCC(=O)OCC.[GaH3]
InChIInChI=1S/C8H16O2.Ga.3H/c1-3-5-6-7-8(9)10-4-2;;;;/h3-7H2,1-2H3;;;;
InChIKeyDRFGYICBZCTAIA-UHFFFAOYSA-N
MW216.96 g/mol
LogP0.95
Rot. Bonds5

About ethyl hexanoate;gallane

ethyl hexanoate;gallane (PubChem CID 174708288) has the molecular formula C8H19GaO2 and a molecular weight of 216.96 g/mol. Its IUPAC name is ethyl hexanoate;gallane.

Molecular Properties

Compound Nameethyl hexanoate;gallane
PubChem CID174708288
Molecular FormulaC8H19GaO2
Molecular Weight216.96 g/mol
Exact Mass216.06
IUPAC Nameethyl hexanoate;gallane
SMILESCCCCCC(=O)OCC.[GaH3]
InChIInChI=1S/C8H16O2.Ga.3H/c1-3-5-6-7-8(9)10-4-2;;;;/h3-7H2,1-2H3;;;;
InChIKeyDRFGYICBZCTAIA-UHFFFAOYSA-N
XLogP0.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.96
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentakis(ethyl octanoate);hexane
CID 173194775
ethyl hexanoate;nickel(2+)
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ethyl hexanoate;mercury
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ethyl hexanoate;tungsten
CID 175314088
ethyl tetradecanoate
CID 89052756
ethyl hexanoate;titanium
CID 87406037
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;rhodium
CID 87383837
ethyl hexanoate;zirconium(2+)
CID 161370000
ethyl decanoate;methanol
CID 161391102

Frequently Asked Questions

What is the IUPAC name of ethyl hexanoate;gallane?
The IUPAC name of ethyl hexanoate;gallane (CID 174708288) is ethyl hexanoate;gallane.
What is the SMILES notation for ethyl hexanoate;gallane?
The canonical SMILES for ethyl hexanoate;gallane is CCCCCC(=O)OCC.[GaH3].
What is the InChIKey of ethyl hexanoate;gallane?
The InChIKey is DRFGYICBZCTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Ga.3H/c1-3-5-6-7-8(9)10-4-2;;;;/h3-7H2,1-2H3;;;;.
What are the key properties of ethyl hexanoate;gallane?
ethyl hexanoate;gallane has a molecular weight of 216.96 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hexanoate;gallane is sourced from PubChem (CID 174708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).