(5S)-5-tetracosyloxolan-2-one

C28H54O2 — CID 11048118

IUPAC(5S)-5-tetracosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-26-28(29)30-27/h27H,2-26H2,1H3/t27-/m0/s1
InChIKeyJBDGMANPHCRIOU-MHZLTWQESA-N
MW422.74 g/mol
LogP9.68
Rot. Bonds23

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

(5S)-5-tetracosyloxolan-2-one (PubChem CID 11048118) has the molecular formula C28H54O2 and a molecular weight of 422.74 g/mol. Its IUPAC name is (5S)-5-tetracosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-tetracosyloxolan-2-one
PubChem CID11048118
Molecular FormulaC28H54O2
Molecular Weight422.74 g/mol
Exact Mass422.41
IUPAC Name(5S)-5-tetracosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-26-28(29)30-27/h27H,2-26H2,1H3/t27-/m0/s1
InChIKeyJBDGMANPHCRIOU-MHZLTWQESA-N
XLogP9.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 8042
Tricaprylin
CID 10850
Gamma-Decalactone
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Gamma-Nonalactone
CID 7710
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CID 7986
Isopropyl Palmitate
CID 8907
Gamma-undecalactone
CID 7714
Ethyl Myristate
CID 31283
Gamma-Dodecalactone
CID 16821
gamma-Octalactone
CID 7704
gamma-Heptalactone
CID 7742
Cetyl Palmitate
CID 10889

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tetracosyloxolan-2-one?
The IUPAC name of (5S)-5-tetracosyloxolan-2-one (CID 11048118) is (5S)-5-tetracosyloxolan-2-one.
What is the SMILES notation for (5S)-5-tetracosyloxolan-2-one?
The canonical SMILES for (5S)-5-tetracosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-tetracosyloxolan-2-one?
The InChIKey is JBDGMANPHCRIOU-MHZLTWQESA-N. The full InChI is InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-26-28(29)30-27/h27H,2-26H2,1H3/t27-/m0/s1.
What are the key properties of (5S)-5-tetracosyloxolan-2-one?
(5S)-5-tetracosyloxolan-2-one has a molecular weight of 422.74 g/mol, XLogP of 9.68, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tetracosyloxolan-2-one is sourced from PubChem (CID 11048118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).