6-nonan-3-yloxy-6-oxohexanoic acid

C15H28O4 — CID 88691174

IUPAC6-nonan-3-yloxy-6-oxohexanoic acid
SMILESCCCCCCC(CC)OC(=O)CCCCC(=O)O
InChIInChI=1S/C15H28O4/c1-3-5-6-7-10-13(4-2)19-15(18)12-9-8-11-14(16)17/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeySMWURMZIOZJHTB-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.92
Rot. Bonds12

About 6-nonan-3-yloxy-6-oxohexanoic acid

6-nonan-3-yloxy-6-oxohexanoic acid (PubChem CID 88691174) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-nonan-3-yloxy-6-oxohexanoic acid.

Molecular Properties

Compound Name6-nonan-3-yloxy-6-oxohexanoic acid
PubChem CID88691174
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name6-nonan-3-yloxy-6-oxohexanoic acid
SMILESCCCCCCC(CC)OC(=O)CCCCC(=O)O
InChIInChI=1S/C15H28O4/c1-3-5-6-7-10-13(4-2)19-15(18)12-9-8-11-14(16)17/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeySMWURMZIOZJHTB-UHFFFAOYSA-N
XLogP3.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-heptadecanoyloxytetradecanoic acid
CID 133049066
7-oxo-7-undecan-3-yloxyheptanoic acid
CID 164591298
13-tetradecanoyloxypentadecanoic acid
CID 133048378
15-octadecanoyloxyheptadecanoic acid
CID 133049342
5-icosanoyloxyheptanoic acid
CID 138303172
9-tridecanoyloxytricosanoic acid
CID 138304603
12-tetradecanoyloxyheptadecanoic acid
CID 133048404
10-pentadecanoyloxytetracosanoic acid
CID 133048699
12-icosanoyloxydocosanoic acid
CID 133049999
9-oxo-9-pentadecan-8-yloxynonanoic acid
CID 129232477
9-pentadecanoyloxynonadecanoic acid
CID 138160959
9-docosanoyloxynonadecanoic acid
CID 138220014

Frequently Asked Questions

What is the IUPAC name of 6-nonan-3-yloxy-6-oxohexanoic acid?
The IUPAC name of 6-nonan-3-yloxy-6-oxohexanoic acid (CID 88691174) is 6-nonan-3-yloxy-6-oxohexanoic acid.
What is the SMILES notation for 6-nonan-3-yloxy-6-oxohexanoic acid?
The canonical SMILES for 6-nonan-3-yloxy-6-oxohexanoic acid is CCCCCCC(CC)OC(=O)CCCCC(=O)O.
What is the InChIKey of 6-nonan-3-yloxy-6-oxohexanoic acid?
The InChIKey is SMWURMZIOZJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-5-6-7-10-13(4-2)19-15(18)12-9-8-11-14(16)17/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 6-nonan-3-yloxy-6-oxohexanoic acid?
6-nonan-3-yloxy-6-oxohexanoic acid has a molecular weight of 272.38 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonan-3-yloxy-6-oxohexanoic acid is sourced from PubChem (CID 88691174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).