5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid

C13H22O6 — CID 175881612

IUPAC5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)OCCCOC1CCCCO1
InChIInChI=1S/C13H22O6/c14-11(15)5-3-6-12(16)17-9-4-10-19-13-7-1-2-8-18-13/h13H,1-10H2,(H,14,15)
InChIKeyBJKFHFZGYCDQGL-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.72
Rot. Bonds9

About 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid

5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid (PubChem CID 175881612) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
PubChem CID175881612
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)OCCCOC1CCCCO1
InChIInChI=1S/C13H22O6/c14-11(15)5-3-6-12(16)17-9-4-10-19-13-7-1-2-8-18-13/h13H,1-10H2,(H,14,15)
InChIKeyBJKFHFZGYCDQGL-UHFFFAOYSA-N
XLogP1.72
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
4-hydroxybutyl 4-(oxolan-2-yloxy)butanoate
CID 169311793
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
phenyl 4-(oxan-2-yloxy)butanoate
CID 86032233
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
2-(12-bromododecoxy)oxane
CID 11078592
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid (CID 175881612) is 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid is O=C(O)CCCC(=O)OCCCOC1CCCCO1.
What is the InChIKey of 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid?
The InChIKey is BJKFHFZGYCDQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c14-11(15)5-3-6-12(16)17-9-4-10-19-13-7-1-2-8-18-13/h13H,1-10H2,(H,14,15).
What are the key properties of 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid?
5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid is sourced from PubChem (CID 175881612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).