(5S)-5-undecanoyloxolan-2-one

C15H26O3 — CID 10800956

IUPAC(5S)-5-undecanoyloxolan-2-one
SMILESCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15(17)18-14/h14H,2-12H2,1H3/t14-/m0/s1
InChIKeySTIRBIXEVCCOMC-AWEZNQCLSA-N
MW254.37 g/mol
LogP3.79
Rot. Bonds10

About (5S)-5-undecanoyloxolan-2-one

(5S)-5-undecanoyloxolan-2-one (PubChem CID 10800956) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (5S)-5-undecanoyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-undecanoyloxolan-2-one
PubChem CID10800956
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(5S)-5-undecanoyloxolan-2-one
SMILESCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15(17)18-14/h14H,2-12H2,1H3/t14-/m0/s1
InChIKeySTIRBIXEVCCOMC-AWEZNQCLSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(8-hydroxyoctanoyl)oxolan-2-one
CID 15716528
(2S,6S)-2-heptanoyl-6-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one
CID 24777078
2-heptanoyl-7-hydroxy-2,3,4,6,7,8-hexahydrochromen-5-one
CID 162899975
5-(2-hydroxyacetyl)oxolan-2-one
CID 69254200
tert-butyl 4-oxo-4-[(2S)-5-oxooxolan-2-yl]butanoate
CID 58491678
(5S)-5-(3-methylbutanoyl)oxolan-2-one
CID 157301078
5-[(Z)-1-iodohept-1-enyl]oxolan-2-one
CID 102025082
N-nonan-4-yl-5-oxooxolane-2-carboxamide
CID 139517346
(5S)-5-pentacosyloxolan-2-one
CID 11102176
(5S)-5-tridecyloxolan-2-one
CID 11065462
5-octyloxolan-2-one
CID 16821
1-[(2R)-oxiran-2-yl]hexan-1-one
CID 177406041

Frequently Asked Questions

What is the IUPAC name of (5S)-5-undecanoyloxolan-2-one?
The IUPAC name of (5S)-5-undecanoyloxolan-2-one (CID 10800956) is (5S)-5-undecanoyloxolan-2-one.
What is the SMILES notation for (5S)-5-undecanoyloxolan-2-one?
The canonical SMILES for (5S)-5-undecanoyloxolan-2-one is CCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-undecanoyloxolan-2-one?
The InChIKey is STIRBIXEVCCOMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-10-13(16)14-11-12-15(17)18-14/h14H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-undecanoyloxolan-2-one?
(5S)-5-undecanoyloxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-undecanoyloxolan-2-one is sourced from PubChem (CID 10800956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).