5-(3-hydroxyhexanoyloxy)pentanoic acid

C11H20O5 — CID 175180536

IUPAC5-(3-hydroxyhexanoyloxy)pentanoic acid
SMILESCCCC(O)CC(=O)OCCCCC(=O)O
InChIInChI=1S/C11H20O5/c1-2-5-9(12)8-11(15)16-7-4-3-6-10(13)14/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyXAIKEZUCQJHQFR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.34
Rot. Bonds9

About 5-(3-hydroxyhexanoyloxy)pentanoic acid

5-(3-hydroxyhexanoyloxy)pentanoic acid (PubChem CID 175180536) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(3-hydroxyhexanoyloxy)pentanoic acid.

Molecular Properties

Compound Name5-(3-hydroxyhexanoyloxy)pentanoic acid
PubChem CID175180536
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-(3-hydroxyhexanoyloxy)pentanoic acid
SMILESCCCC(O)CC(=O)OCCCCC(=O)O
InChIInChI=1S/C11H20O5/c1-2-5-9(12)8-11(15)16-7-4-3-6-10(13)14/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyXAIKEZUCQJHQFR-UHFFFAOYSA-N
XLogP1.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[12-[8-(5-decoxy-3-hydroxy-5-oxopentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid
CID 25213452
4-[3-(3-hydroxyheptanoyloxy)propanoyloxy]butanoic acid
CID 87325946
propyl 3-hydroxyhexanoate
CID 14915819
5-butanoyloxypentanoic acid
CID 54166172
octadecyl 3-hydroxydocosanoate
CID 139650749
octadecanoic acid;octadecyl octadecanoate;propane-1,2,3-triol
CID 158538063
6-octacosoxy-6-oxohexanoic acid
CID 154142951
8-(10-nonanoyloxydecanoyloxy)octanoic acid
CID 173430215
didecyl hexanedioate;dioctyl hexanedioate;bis(hexanedioic acid)
CID 159854583
6-heptoxy-6-oxohexanoic acid;hexanedioic acid
CID 158770856
nonadecakis(decanoic acid);heptadecyl decanoate
CID 175591472
octadecanoic acid;octyl octanoate
CID 160923684

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyhexanoyloxy)pentanoic acid?
The IUPAC name of 5-(3-hydroxyhexanoyloxy)pentanoic acid (CID 175180536) is 5-(3-hydroxyhexanoyloxy)pentanoic acid.
What is the SMILES notation for 5-(3-hydroxyhexanoyloxy)pentanoic acid?
The canonical SMILES for 5-(3-hydroxyhexanoyloxy)pentanoic acid is CCCC(O)CC(=O)OCCCCC(=O)O.
What is the InChIKey of 5-(3-hydroxyhexanoyloxy)pentanoic acid?
The InChIKey is XAIKEZUCQJHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-2-5-9(12)8-11(15)16-7-4-3-6-10(13)14/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-(3-hydroxyhexanoyloxy)pentanoic acid?
5-(3-hydroxyhexanoyloxy)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyhexanoyloxy)pentanoic acid is sourced from PubChem (CID 175180536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).