deuteride;octanoic acid

C8H17O2- — CID 159363427

IUPACdeuteride;octanoic acid
SMILESCCCCCCCC(=O)O.[2H-]
InChIInChI=1S/C8H16O2.H/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;-1/i;1+1
InChIKeyLIUZDNXBAXFFQR-IEOVAKBOSA-N
MW146.23 g/mol
LogP2.54
Rot. Bonds6

About deuteride;octanoic acid

deuteride;octanoic acid (PubChem CID 159363427) has the molecular formula C8H17O2- and a molecular weight of 146.23 g/mol. Its IUPAC name is deuteride;octanoic acid.

Molecular Properties

Compound Namedeuteride;octanoic acid
PubChem CID159363427
Molecular FormulaC8H17O2-
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Namedeuteride;octanoic acid
SMILESCCCCCCCC(=O)O.[2H-]
InChIInChI=1S/C8H16O2.H/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;-1/i;1+1
InChIKeyLIUZDNXBAXFFQR-IEOVAKBOSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.54
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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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 deuteride;octanoic acid?
The IUPAC name of deuteride;octanoic acid (CID 159363427) is deuteride;octanoic acid.
What is the SMILES notation for deuteride;octanoic acid?
The canonical SMILES for deuteride;octanoic acid is CCCCCCCC(=O)O.[2H-].
What is the InChIKey of deuteride;octanoic acid?
The InChIKey is LIUZDNXBAXFFQR-IEOVAKBOSA-N. The full InChI is InChI=1S/C8H16O2.H/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;-1/i;1+1.
What are the key properties of deuteride;octanoic acid?
deuteride;octanoic acid has a molecular weight of 146.23 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuteride;octanoic acid is sourced from PubChem (CID 159363427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).