(5S)-5-tricosyloxolan-2-one

C27H52O2 — CID 10982443

IUPAC(5S)-5-tricosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24-25-27(28)29-26/h26H,2-25H2,1H3/t26-/m0/s1
InChIKeyRATVVPKFLMJAST-SANMLTNESA-N
MW408.71 g/mol
LogP9.29
Rot. Bonds22

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

(5S)-5-tricosyloxolan-2-one (PubChem CID 10982443) has the molecular formula C27H52O2 and a molecular weight of 408.71 g/mol. Its IUPAC name is (5S)-5-tricosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-tricosyloxolan-2-one
PubChem CID10982443
Molecular FormulaC27H52O2
Molecular Weight408.71 g/mol
Exact Mass408.40
IUPAC Name(5S)-5-tricosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24-25-27(28)29-26/h26H,2-25H2,1H3/t26-/m0/s1
InChIKeyRATVVPKFLMJAST-SANMLTNESA-N
XLogP9.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 59.29
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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Gamma-undecalactone
CID 7714
Ethyl Myristate
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Gamma-Dodecalactone
CID 16821
gamma-Octalactone
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gamma-Heptalactone
CID 7742
Cetyl Palmitate
CID 10889

Frequently Asked Questions

What is the IUPAC name of (5S)-5-tricosyloxolan-2-one?
The IUPAC name of (5S)-5-tricosyloxolan-2-one (CID 10982443) is (5S)-5-tricosyloxolan-2-one.
What is the SMILES notation for (5S)-5-tricosyloxolan-2-one?
The canonical SMILES for (5S)-5-tricosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-tricosyloxolan-2-one?
The InChIKey is RATVVPKFLMJAST-SANMLTNESA-N. The full InChI is InChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-24-25-27(28)29-26/h26H,2-25H2,1H3/t26-/m0/s1.
What are the key properties of (5S)-5-tricosyloxolan-2-one?
(5S)-5-tricosyloxolan-2-one has a molecular weight of 408.71 g/mol, XLogP of 9.29, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-tricosyloxolan-2-one is sourced from PubChem (CID 10982443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).