5-oxo-5-(1-phenylpentoxy)pentanoic acid

C16H22O4 — CID 3039562

IUPAC5-oxo-5-(1-phenylpentoxy)pentanoic acid
SMILESCCCCC(OC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H22O4/c1-2-3-10-14(13-8-5-4-6-9-13)20-16(19)12-7-11-15(17)18/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,18)
InChIKeyBPPZLCOVTJPHFG-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.72
Rot. Bonds9

About 5-oxo-5-(1-phenylpentoxy)pentanoic acid

5-oxo-5-(1-phenylpentoxy)pentanoic acid (PubChem CID 3039562) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-oxo-5-(1-phenylpentoxy)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(1-phenylpentoxy)pentanoic acid
PubChem CID3039562
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name5-oxo-5-(1-phenylpentoxy)pentanoic acid
SMILESCCCCC(OC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C16H22O4/c1-2-3-10-14(13-8-5-4-6-9-13)20-16(19)12-7-11-15(17)18/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,18)
InChIKeyBPPZLCOVTJPHFG-UHFFFAOYSA-N
XLogP3.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(1-phenylpentoxy)pentanoic acid?
The IUPAC name of 5-oxo-5-(1-phenylpentoxy)pentanoic acid (CID 3039562) is 5-oxo-5-(1-phenylpentoxy)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(1-phenylpentoxy)pentanoic acid?
The canonical SMILES for 5-oxo-5-(1-phenylpentoxy)pentanoic acid is CCCCC(OC(=O)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-oxo-5-(1-phenylpentoxy)pentanoic acid?
The InChIKey is BPPZLCOVTJPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-2-3-10-14(13-8-5-4-6-9-13)20-16(19)12-7-11-15(17)18/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,17,18).
What are the key properties of 5-oxo-5-(1-phenylpentoxy)pentanoic acid?
5-oxo-5-(1-phenylpentoxy)pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(1-phenylpentoxy)pentanoic acid is sourced from PubChem (CID 3039562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).