2-[(2R)-oxan-2-yl]oxyhexanoic acid

C11H20O4 — CID 101196631

IUPAC2-[(2R)-oxan-2-yl]oxyhexanoic acid
SMILESCCCCC(O[C@@H]1CCCCO1)C(=O)O
InChIInChI=1S/C11H20O4/c1-2-3-6-9(11(12)13)15-10-7-4-5-8-14-10/h9-10H,2-8H2,1H3,(H,12,13)/t9?,10-/m1/s1
InChIKeyFGTVUTNPOVHIJD-QVDQXJPCSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds6

About 2-[(2R)-oxan-2-yl]oxyhexanoic acid

2-[(2R)-oxan-2-yl]oxyhexanoic acid (PubChem CID 101196631) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(2R)-oxan-2-yl]oxyhexanoic acid.

Molecular Properties

Compound Name2-[(2R)-oxan-2-yl]oxyhexanoic acid
PubChem CID101196631
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-[(2R)-oxan-2-yl]oxyhexanoic acid
SMILESCCCCC(O[C@@H]1CCCCO1)C(=O)O
InChIInChI=1S/C11H20O4/c1-2-3-6-9(11(12)13)15-10-7-4-5-8-14-10/h9-10H,2-8H2,1H3,(H,12,13)/t9?,10-/m1/s1
InChIKeyFGTVUTNPOVHIJD-QVDQXJPCSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxan-2-yl]oxyhexanoic acid?
The IUPAC name of 2-[(2R)-oxan-2-yl]oxyhexanoic acid (CID 101196631) is 2-[(2R)-oxan-2-yl]oxyhexanoic acid.
What is the SMILES notation for 2-[(2R)-oxan-2-yl]oxyhexanoic acid?
The canonical SMILES for 2-[(2R)-oxan-2-yl]oxyhexanoic acid is CCCCC(O[C@@H]1CCCCO1)C(=O)O.
What is the InChIKey of 2-[(2R)-oxan-2-yl]oxyhexanoic acid?
The InChIKey is FGTVUTNPOVHIJD-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-3-6-9(11(12)13)15-10-7-4-5-8-14-10/h9-10H,2-8H2,1H3,(H,12,13)/t9?,10-/m1/s1.
What are the key properties of 2-[(2R)-oxan-2-yl]oxyhexanoic acid?
2-[(2R)-oxan-2-yl]oxyhexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxan-2-yl]oxyhexanoic acid is sourced from PubChem (CID 101196631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).