2-(2-hydroxyhexanoyloxy)pentanoic acid

C11H20O5 — CID 18760379

IUPAC2-(2-hydroxyhexanoyloxy)pentanoic acid
SMILESCCCCC(O)C(=O)OC(CCC)C(=O)O
InChIInChI=1S/C11H20O5/c1-3-5-7-8(12)11(15)16-9(6-4-2)10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyUIFDLIXPKKTPKV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.33
Rot. Bonds8

About 2-(2-hydroxyhexanoyloxy)pentanoic acid

2-(2-hydroxyhexanoyloxy)pentanoic acid (PubChem CID 18760379) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-hydroxyhexanoyloxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyhexanoyloxy)pentanoic acid
PubChem CID18760379
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name2-(2-hydroxyhexanoyloxy)pentanoic acid
SMILESCCCCC(O)C(=O)OC(CCC)C(=O)O
InChIInChI=1S/C11H20O5/c1-3-5-7-8(12)11(15)16-9(6-4-2)10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyUIFDLIXPKKTPKV-UHFFFAOYSA-N
XLogP1.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyoctanoyloxy)decanoic acid
CID 57111735
2-(2-hydroxyhexadecanoyloxy)hexadecanoic acid
CID 54201364
(2R)-2-hydroxyhexanoic acid
CID 6995511
ethane;2-hydroxyhexanoic acid
CID 20976061
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
3-hydroxy-4-octan-4-yloxy-4-oxobutanoic acid
CID 87216628
2-hydroxyoctadecanoic acid;octan-3-yl 2-hydroxyoctadecanoate
CID 158065862
5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid
CID 141161540
(2S)-2-methoxyhexanoic acid
CID 129373931
ethyl 2-hydroxyheptanoate
CID 12743783
hexyl 2-hydroxyhexanoate;hydrochloride
CID 174906603
(2R)-2-(2,2-diphenylacetyl)oxypentanoic acid
CID 66664989

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyhexanoyloxy)pentanoic acid?
The IUPAC name of 2-(2-hydroxyhexanoyloxy)pentanoic acid (CID 18760379) is 2-(2-hydroxyhexanoyloxy)pentanoic acid.
What is the SMILES notation for 2-(2-hydroxyhexanoyloxy)pentanoic acid?
The canonical SMILES for 2-(2-hydroxyhexanoyloxy)pentanoic acid is CCCCC(O)C(=O)OC(CCC)C(=O)O.
What is the InChIKey of 2-(2-hydroxyhexanoyloxy)pentanoic acid?
The InChIKey is UIFDLIXPKKTPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-5-7-8(12)11(15)16-9(6-4-2)10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-hydroxyhexanoyloxy)pentanoic acid?
2-(2-hydroxyhexanoyloxy)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyhexanoyloxy)pentanoic acid is sourced from PubChem (CID 18760379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).