6-acetyloxy-4-methoxyhexanoic acid

C9H16O5 — CID 175550435

IUPAC6-acetyloxy-4-methoxyhexanoic acid
SMILESCOC(CCOC(C)=O)CCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(10)14-6-5-8(13-2)3-4-9(11)12/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyUREGYGKZPRVYEI-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.82
Rot. Bonds7

About 6-acetyloxy-4-methoxyhexanoic acid

6-acetyloxy-4-methoxyhexanoic acid (PubChem CID 175550435) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-acetyloxy-4-methoxyhexanoic acid.

Molecular Properties

Compound Name6-acetyloxy-4-methoxyhexanoic acid
PubChem CID175550435
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name6-acetyloxy-4-methoxyhexanoic acid
SMILESCOC(CCOC(C)=O)CCC(=O)O
InChIInChI=1S/C9H16O5/c1-7(10)14-6-5-8(13-2)3-4-9(11)12/h8H,3-6H2,1-2H3,(H,11,12)
InChIKeyUREGYGKZPRVYEI-UHFFFAOYSA-N
XLogP0.82
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyloxy-4-methoxyhexanoic acid?
The IUPAC name of 6-acetyloxy-4-methoxyhexanoic acid (CID 175550435) is 6-acetyloxy-4-methoxyhexanoic acid.
What is the SMILES notation for 6-acetyloxy-4-methoxyhexanoic acid?
The canonical SMILES for 6-acetyloxy-4-methoxyhexanoic acid is COC(CCOC(C)=O)CCC(=O)O.
What is the InChIKey of 6-acetyloxy-4-methoxyhexanoic acid?
The InChIKey is UREGYGKZPRVYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-7(10)14-6-5-8(13-2)3-4-9(11)12/h8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 6-acetyloxy-4-methoxyhexanoic acid?
6-acetyloxy-4-methoxyhexanoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyloxy-4-methoxyhexanoic acid is sourced from PubChem (CID 175550435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).