gallane;octanoic acid

C8H19GaO2 — CID 173230632

IUPACgallane;octanoic acid
SMILESCCCCCCCC(=O)O.[GaH3]
InChIInChI=1S/C8H16O2.Ga.3H/c1-2-3-4-5-6-7-8(9)10;;;;/h2-7H2,1H3,(H,9,10);;;;
InChIKeyOIXUJPWXYSGPBN-UHFFFAOYSA-N
MW216.96 g/mol
LogP1.25
Rot. Bonds6

About gallane;octanoic acid

gallane;octanoic acid (PubChem CID 173230632) has the molecular formula C8H19GaO2 and a molecular weight of 216.96 g/mol. Its IUPAC name is gallane;octanoic acid.

Molecular Properties

Compound Namegallane;octanoic acid
PubChem CID173230632
Molecular FormulaC8H19GaO2
Molecular Weight216.96 g/mol
Exact Mass216.06
IUPAC Namegallane;octanoic acid
SMILESCCCCCCCC(=O)O.[GaH3]
InChIInChI=1S/C8H16O2.Ga.3H/c1-2-3-4-5-6-7-8(9)10;;;;/h2-7H2,1H3,(H,9,10);;;;
InChIKeyOIXUJPWXYSGPBN-UHFFFAOYSA-N
XLogP1.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.96
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosanoic acid;gallane
CID 175575913
docosanoic acid;tetradecane
CID 157248197
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of gallane;octanoic acid?
The IUPAC name of gallane;octanoic acid (CID 173230632) is gallane;octanoic acid.
What is the SMILES notation for gallane;octanoic acid?
The canonical SMILES for gallane;octanoic acid is CCCCCCCC(=O)O.[GaH3].
What is the InChIKey of gallane;octanoic acid?
The InChIKey is OIXUJPWXYSGPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Ga.3H/c1-2-3-4-5-6-7-8(9)10;;;;/h2-7H2,1H3,(H,9,10);;;;.
What are the key properties of gallane;octanoic acid?
gallane;octanoic acid has a molecular weight of 216.96 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gallane;octanoic acid is sourced from PubChem (CID 173230632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).