5-(8-hydroxyoctanoyl)oxolan-2-one

C12H20O4 — CID 15716528

IUPAC5-(8-hydroxyoctanoyl)oxolan-2-one
SMILESO=C1CCC(C(=O)CCCCCCCO)O1
InChIInChI=1S/C12H20O4/c13-9-5-3-1-2-4-6-10(14)11-7-8-12(15)16-11/h11,13H,1-9H2
InChIKeyRVHIIFGYVOCNDU-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.59
Rot. Bonds8

About 5-(8-hydroxyoctanoyl)oxolan-2-one

5-(8-hydroxyoctanoyl)oxolan-2-one (PubChem CID 15716528) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(8-hydroxyoctanoyl)oxolan-2-one.

Molecular Properties

Compound Name5-(8-hydroxyoctanoyl)oxolan-2-one
PubChem CID15716528
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name5-(8-hydroxyoctanoyl)oxolan-2-one
SMILESO=C1CCC(C(=O)CCCCCCCO)O1
InChIInChI=1S/C12H20O4/c13-9-5-3-1-2-4-6-10(14)11-7-8-12(15)16-11/h11,13H,1-9H2
InChIKeyRVHIIFGYVOCNDU-UHFFFAOYSA-N
XLogP1.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
CID 184907
(1S,6R,12R)-1-hydroxy-6-pentyl-5,15-dioxabicyclo[10.2.1]pentadecane-4,14-dione
CID 11381814
(5S)-5-tetradecanoyloxolan-2-one
CID 124511367
Dihydro-5-myristoyl-2(3h)-furanone
CID 129682910
Acetoin decanoate
CID 129829911
Acetoin nonanoate
CID 129829965
(3-Hydroxy-2-oxobutyl) octanoate
CID 129829975
(4r)-5-Oxo-4-decanolide
CID 129866560
CID 544254
CID 544254
Ethyl 7-hydroxy-6-oxooctanoate
CID 20826379
(2-Oxooxolan-3-yl) 12-hydroxydodecanoate
CID 23597889
(2-Oxooxolan-3-yl) 10-hydroxydecanoate
CID 23597890

Frequently Asked Questions

What is the IUPAC name of 5-(8-hydroxyoctanoyl)oxolan-2-one?
The IUPAC name of 5-(8-hydroxyoctanoyl)oxolan-2-one (CID 15716528) is 5-(8-hydroxyoctanoyl)oxolan-2-one.
What is the SMILES notation for 5-(8-hydroxyoctanoyl)oxolan-2-one?
The canonical SMILES for 5-(8-hydroxyoctanoyl)oxolan-2-one is O=C1CCC(C(=O)CCCCCCCO)O1.
What is the InChIKey of 5-(8-hydroxyoctanoyl)oxolan-2-one?
The InChIKey is RVHIIFGYVOCNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-9-5-3-1-2-4-6-10(14)11-7-8-12(15)16-11/h11,13H,1-9H2.
What are the key properties of 5-(8-hydroxyoctanoyl)oxolan-2-one?
5-(8-hydroxyoctanoyl)oxolan-2-one has a molecular weight of 228.29 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-hydroxyoctanoyl)oxolan-2-one is sourced from PubChem (CID 15716528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).