5-docosyloxolan-2-one

C26H50O2 — CID 85358949

IUPAC5-docosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
InChIInChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3
InChIKeyKWOWNYUWWHKUCK-UHFFFAOYSA-N
MW394.68 g/mol
LogP8.90
Rot. Bonds21

About 5-docosyloxolan-2-one

5-docosyloxolan-2-one (PubChem CID 85358949) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is 5-docosyloxolan-2-one.

Molecular Properties

Compound Name5-docosyloxolan-2-one
PubChem CID85358949
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name5-docosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
InChIInChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3
InChIKeyKWOWNYUWWHKUCK-UHFFFAOYSA-N
XLogP8.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-docosyloxolan-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 5-docosyloxolan-2-one?
The IUPAC name of 5-docosyloxolan-2-one (CID 85358949) is 5-docosyloxolan-2-one.
What is the SMILES notation for 5-docosyloxolan-2-one?
The canonical SMILES for 5-docosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1.
What is the InChIKey of 5-docosyloxolan-2-one?
The InChIKey is KWOWNYUWWHKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23-24-26(27)28-25/h25H,2-24H2,1H3.
What are the key properties of 5-docosyloxolan-2-one?
5-docosyloxolan-2-one has a molecular weight of 394.68 g/mol, XLogP of 8.90, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-docosyloxolan-2-one is sourced from PubChem (CID 85358949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).