(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one

C22H32O3 — CID 124582079

IUPAC(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21,23H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t20-,21-/m0/s1
InChIKeyPCOBNCGOHMJRLU-LCIPCQMKSA-N
MW344.50 g/mol
LogP5.19
Rot. Bonds12

About (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one

(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one (PubChem CID 124582079) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
PubChem CID124582079
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21,23H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t20-,21-/m0/s1
InChIKeyPCOBNCGOHMJRLU-LCIPCQMKSA-N
XLogP5.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one with MolForge

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Related Compounds

(6R)-6-[(1R,3Z,6Z,9Z,12Z)-1-hydroxypentadeca-3,6,9,12-tetraenyl]oxan-2-one
CID 125181291
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5S)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-one
CID 10849816
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5R)-5-[(2S)-pent-4-en-2-yl]oxolan-2-one
CID 135037990
5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5S)-5-[(Z)-but-1-enyl]oxolan-2-one
CID 163092536
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
5-[(Z)-dec-7-enyl]oxolan-2-one
CID 53238344

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one (CID 124582079) is (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H](O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one?
The InChIKey is PCOBNCGOHMJRLU-LCIPCQMKSA-N. The full InChI is InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21,23H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t20-,21-/m0/s1.
What are the key properties of (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one?
(5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one has a molecular weight of 344.50 g/mol, XLogP of 5.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one is sourced from PubChem (CID 124582079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).