6-formyloxyhexanoic acid

C7H12O4 — CID 15269375

IUPAC6-formyloxyhexanoic acid
SMILESO=COCCCCCC(=O)O
InChIInChI=1S/C7H12O4/c8-6-11-5-3-1-2-4-7(9)10/h6H,1-5H2,(H,9,10)
InChIKeyHGAWMSZTNBBHPU-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.80
Rot. Bonds7

About 6-formyloxyhexanoic acid

6-formyloxyhexanoic acid (PubChem CID 15269375) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-formyloxyhexanoic acid.

Molecular Properties

Compound Name6-formyloxyhexanoic acid
PubChem CID15269375
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name6-formyloxyhexanoic acid
SMILESO=COCCCCCC(=O)O
InChIInChI=1S/C7H12O4/c8-6-11-5-3-1-2-4-7(9)10/h6H,1-5H2,(H,9,10)
InChIKeyHGAWMSZTNBBHPU-UHFFFAOYSA-N
XLogP0.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

8-formyloxyoctanoic acid
CID 123773402
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
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 6-formyloxyhexanoic acid?
The IUPAC name of 6-formyloxyhexanoic acid (CID 15269375) is 6-formyloxyhexanoic acid.
What is the SMILES notation for 6-formyloxyhexanoic acid?
The canonical SMILES for 6-formyloxyhexanoic acid is O=COCCCCCC(=O)O.
What is the InChIKey of 6-formyloxyhexanoic acid?
The InChIKey is HGAWMSZTNBBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-6-11-5-3-1-2-4-7(9)10/h6H,1-5H2,(H,9,10).
What are the key properties of 6-formyloxyhexanoic acid?
6-formyloxyhexanoic acid has a molecular weight of 160.17 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyloxyhexanoic acid is sourced from PubChem (CID 15269375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).