5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid

C11H18O5 — CID 18427194

IUPAC5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid
SMILESCOC(C)CCC(C(=O)O)C1CCC(=O)O1
InChIInChI=1S/C11H18O5/c1-7(15-2)3-4-8(11(13)14)9-5-6-10(12)16-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyUAQBHHHZCJYASL-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.21
Rot. Bonds6

About 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid

5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid (PubChem CID 18427194) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid.

Molecular Properties

Compound Name5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid
PubChem CID18427194
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid
SMILESCOC(C)CCC(C(=O)O)C1CCC(=O)O1
InChIInChI=1S/C11H18O5/c1-7(15-2)3-4-8(11(13)14)9-5-6-10(12)16-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyUAQBHHHZCJYASL-UHFFFAOYSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid?
The IUPAC name of 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid (CID 18427194) is 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid.
What is the SMILES notation for 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid?
The canonical SMILES for 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid is COC(C)CCC(C(=O)O)C1CCC(=O)O1.
What is the InChIKey of 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid?
The InChIKey is UAQBHHHZCJYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-7(15-2)3-4-8(11(13)14)9-5-6-10(12)16-9/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid?
5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(5-oxooxolan-2-yl)hexanoic acid is sourced from PubChem (CID 18427194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).