(5S)-5-docosyloxolan-2-one

C26H50O2 — CID 10992904

IUPAC(5S)-5-docosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=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/t25-/m0/s1
InChIKeyKWOWNYUWWHKUCK-VWLOTQADSA-N
MW394.68 g/mol
LogP8.90
Rot. Bonds21

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

(5S)-5-docosyloxolan-2-one (PubChem CID 10992904) has the molecular formula C26H50O2 and a molecular weight of 394.68 g/mol. Its IUPAC name is (5S)-5-docosyloxolan-2-one.

Molecular Properties

Compound Name(5S)-5-docosyloxolan-2-one
PubChem CID10992904
Molecular FormulaC26H50O2
Molecular Weight394.68 g/mol
Exact Mass394.38
IUPAC Name(5S)-5-docosyloxolan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=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/t25-/m0/s1
InChIKeyKWOWNYUWWHKUCK-VWLOTQADSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-docosyloxolan-2-one?
The IUPAC name of (5S)-5-docosyloxolan-2-one (CID 10992904) is (5S)-5-docosyloxolan-2-one.
What is the SMILES notation for (5S)-5-docosyloxolan-2-one?
The canonical SMILES for (5S)-5-docosyloxolan-2-one is CCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-docosyloxolan-2-one?
The InChIKey is KWOWNYUWWHKUCK-VWLOTQADSA-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/t25-/m0/s1.
What are the key properties of (5S)-5-docosyloxolan-2-one?
(5S)-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 (5S)-5-docosyloxolan-2-one is sourced from PubChem (CID 10992904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).