6-(hexoxymethoxy)-6-oxohexanoic acid

C13H24O5 — CID 174474614

IUPAC6-(hexoxymethoxy)-6-oxohexanoic acid
SMILESCCCCCCOCOC(=O)CCCCC(=O)O
InChIInChI=1S/C13H24O5/c1-2-3-4-7-10-17-11-18-13(16)9-6-5-8-12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyZNQYWJNXLANWMK-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.73
Rot. Bonds12

About 6-(hexoxymethoxy)-6-oxohexanoic acid

6-(hexoxymethoxy)-6-oxohexanoic acid (PubChem CID 174474614) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-(hexoxymethoxy)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(hexoxymethoxy)-6-oxohexanoic acid
PubChem CID174474614
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name6-(hexoxymethoxy)-6-oxohexanoic acid
SMILESCCCCCCOCOC(=O)CCCCC(=O)O
InChIInChI=1S/C13H24O5/c1-2-3-4-7-10-17-11-18-13(16)9-6-5-8-12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyZNQYWJNXLANWMK-UHFFFAOYSA-N
XLogP2.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(hexoxymethyl) octanedioate
CID 174461943
21-tetradecanoyloxyhenicosanoic acid
CID 170564306
octadecakis(decanoic acid);bis(tridecyl decanoate)
CID 174050313
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684
6-octacosoxy-6-oxohexanoic acid
CID 154142951
dodecyl octadecanoate;bis(octadecanoic acid)
CID 175591522
hexadecanoic acid;hexyl decanoate
CID 138523750
14-decoxy-14-oxotetradecanoic acid
CID 87963491
dodecanoic acid;octyl tetradecanoate
CID 175586001
12-nonoxy-12-oxododecanoic acid
CID 156769757

Frequently Asked Questions

What is the IUPAC name of 6-(hexoxymethoxy)-6-oxohexanoic acid?
The IUPAC name of 6-(hexoxymethoxy)-6-oxohexanoic acid (CID 174474614) is 6-(hexoxymethoxy)-6-oxohexanoic acid.
What is the SMILES notation for 6-(hexoxymethoxy)-6-oxohexanoic acid?
The canonical SMILES for 6-(hexoxymethoxy)-6-oxohexanoic acid is CCCCCCOCOC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(hexoxymethoxy)-6-oxohexanoic acid?
The InChIKey is ZNQYWJNXLANWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-2-3-4-7-10-17-11-18-13(16)9-6-5-8-12(14)15/h2-11H2,1H3,(H,14,15).
What are the key properties of 6-(hexoxymethoxy)-6-oxohexanoic acid?
6-(hexoxymethoxy)-6-oxohexanoic acid has a molecular weight of 260.33 g/mol, XLogP of 2.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexoxymethoxy)-6-oxohexanoic acid is sourced from PubChem (CID 174474614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).