(5S)-5-icosyloxolan-2-one

C24H46O2 — CID 11143096

IUPAC(5S)-5-icosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24(25)26-23/h23H,2-22H2,1H3/t23-/m0/s1
InChIKeyAFZOXJCUHIZZDU-QHCPKHFHSA-N
MW366.63 g/mol
LogP8.12
Rot. Bonds19

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

(5S)-5-icosyloxolan-2-one (PubChem CID 11143096) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (5S)-5-icosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-icosyloxolan-2-one
PubChem CID11143096
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(5S)-5-icosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24(25)26-23/h23H,2-22H2,1H3/t23-/m0/s1
InChIKeyAFZOXJCUHIZZDU-QHCPKHFHSA-N
XLogP8.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.12
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

Isopropyl Myristate
CID 8042
Tricaprylin
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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-icosyloxolan-2-one?
The IUPAC name of (5S)-5-icosyloxolan-2-one (CID 11143096) is (5S)-5-icosyloxolan-2-one.
What is the SMILES notation for (5S)-5-icosyloxolan-2-one?
The canonical SMILES for (5S)-5-icosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-icosyloxolan-2-one?
The InChIKey is AFZOXJCUHIZZDU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-22-24(25)26-23/h23H,2-22H2,1H3/t23-/m0/s1.
What are the key properties of (5S)-5-icosyloxolan-2-one?
(5S)-5-icosyloxolan-2-one has a molecular weight of 366.63 g/mol, XLogP of 8.12, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-icosyloxolan-2-one is sourced from PubChem (CID 11143096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).