(5S)-5-hexacosyloxolan-2-one

C30H58O2 — CID 10983249

IUPAC(5S)-5-hexacosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(31)32-29/h29H,2-28H2,1H3/t29-/m0/s1
InChIKeyYLLQOTIGQVCOEH-LJAQVGFWSA-N
MW450.79 g/mol
LogP10.46
Rot. Bonds25

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

(5S)-5-hexacosyloxolan-2-one (PubChem CID 10983249) has the molecular formula C30H58O2 and a molecular weight of 450.79 g/mol. Its IUPAC name is (5S)-5-hexacosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-hexacosyloxolan-2-one
PubChem CID10983249
Molecular FormulaC30H58O2
Molecular Weight450.79 g/mol
Exact Mass450.44
IUPAC Name(5S)-5-hexacosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChIInChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(31)32-29/h29H,2-28H2,1H3/t29-/m0/s1
InChIKeyYLLQOTIGQVCOEH-LJAQVGFWSA-N
XLogP10.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.79
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-hexacosyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Isopropyl Myristate
CID 8042
Tricaprylin
CID 10850
Gamma-Decalactone
CID 12813
Gamma-Nonalactone
CID 7710
Dibutyl Sebacate
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-hexacosyloxolan-2-one?
The IUPAC name of (5S)-5-hexacosyloxolan-2-one (CID 10983249) is (5S)-5-hexacosyloxolan-2-one.
What is the SMILES notation for (5S)-5-hexacosyloxolan-2-one?
The canonical SMILES for (5S)-5-hexacosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-hexacosyloxolan-2-one?
The InChIKey is YLLQOTIGQVCOEH-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27-28-30(31)32-29/h29H,2-28H2,1H3/t29-/m0/s1.
What are the key properties of (5S)-5-hexacosyloxolan-2-one?
(5S)-5-hexacosyloxolan-2-one has a molecular weight of 450.79 g/mol, XLogP of 10.46, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hexacosyloxolan-2-one is sourced from PubChem (CID 10983249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).