8-formyloxyoctanoic acid

C18H32O8 — CID 123773402

IUPAC8-formyloxyoctanoic acid
SMILESO=COCCCCCCCC(=O)O.O=COCCCCCCCC(=O)O
InChIInChI=1S/2C9H16O4/c2*10-8-13-7-5-3-1-2-4-6-9(11)12/h2*8H,1-7H2,(H,11,12)
InChIKeyDJTSWXAEAPPZAI-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.17
Rot. Bonds18

About 8-formyloxyoctanoic acid

8-formyloxyoctanoic acid (PubChem CID 123773402) has the molecular formula C18H32O8 and a molecular weight of 376.45 g/mol. Its IUPAC name is 8-formyloxyoctanoic acid.

Molecular Properties

Compound Name8-formyloxyoctanoic acid
PubChem CID123773402
Molecular FormulaC18H32O8
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC Name8-formyloxyoctanoic acid
SMILESO=COCCCCCCCC(=O)O.O=COCCCCCCCC(=O)O
InChIInChI=1S/2C9H16O4/c2*10-8-13-7-5-3-1-2-4-6-9(11)12/h2*8H,1-7H2,(H,11,12)
InChIKeyDJTSWXAEAPPZAI-UHFFFAOYSA-N
XLogP3.17
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-formyloxyhexanoic acid
CID 15269375
4-[5-(3-formyloxypropoxymethoxy)pentanoyloxy]butanoic acid
CID 59035262
[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate
CID 87995385
12-ethenyl-17-formyloxyheptadec-8-enoic acid
CID 76749919
4-formyloxy-5-(5-formyloxypentoxy)-5-oxopentanoic acid
CID 87995383
(7-oxo-7-phenylheptyl) formate
CID 87851499
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of 8-formyloxyoctanoic acid?
The IUPAC name of 8-formyloxyoctanoic acid (CID 123773402) is 8-formyloxyoctanoic acid.
What is the SMILES notation for 8-formyloxyoctanoic acid?
The canonical SMILES for 8-formyloxyoctanoic acid is O=COCCCCCCCC(=O)O.O=COCCCCCCCC(=O)O.
What is the InChIKey of 8-formyloxyoctanoic acid?
The InChIKey is DJTSWXAEAPPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16O4/c2*10-8-13-7-5-3-1-2-4-6-9(11)12/h2*8H,1-7H2,(H,11,12).
What are the key properties of 8-formyloxyoctanoic acid?
8-formyloxyoctanoic acid has a molecular weight of 376.45 g/mol, XLogP of 3.17, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-formyloxyoctanoic acid is sourced from PubChem (CID 123773402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).