(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one

C23H32O5 — CID 11153460

IUPAC(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@@H]2CC[C@H]([C@@H](O)CC/C=C/CCCOCc3ccccc3)O2)O1
InChIInChI=1S/C23H32O5/c24-19(20-12-13-21(27-20)22-14-15-23(25)28-22)11-7-2-1-3-8-16-26-17-18-9-5-4-6-10-18/h1-2,4-6,9-10,19-22,24H,3,7-8,11-17H2/b2-1+/t19-,20+,21-,22-/m0/s1
InChIKeyBDIOUTVMNFEQJR-NBSITQGLSA-N
MW388.50 g/mol
LogP3.93
Rot. Bonds11

About (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one

(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one (PubChem CID 11153460) has the molecular formula C23H32O5 and a molecular weight of 388.50 g/mol. Its IUPAC name is (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
PubChem CID11153460
Molecular FormulaC23H32O5
Molecular Weight388.50 g/mol
Exact Mass388.22
IUPAC Name(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@@H]2CC[C@H]([C@@H](O)CC/C=C/CCCOCc3ccccc3)O2)O1
InChIInChI=1S/C23H32O5/c24-19(20-12-13-21(27-20)22-14-15-23(25)28-22)11-7-2-1-3-8-16-26-17-18-9-5-4-6-10-18/h1-2,4-6,9-10,19-22,24H,3,7-8,11-17H2/b2-1+/t19-,20+,21-,22-/m0/s1
InChIKeyBDIOUTVMNFEQJR-NBSITQGLSA-N
XLogP3.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[(2S,5S)-5-[(E,1R)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one
CID 11440640
(5R)-5-[(2R,5S)-5-[(2R,5S)-5-[(1S)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 11188896
(5S)-5-[(2S,5S)-5-[(2S,5S)-5-[(1R)-1-hydroxy-4-phenylmethoxybutyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-one
CID 11177177
5-[(E)-1-hydroxy-6-phenylmethoxyhex-2-enyl]cyclopent-2-en-1-one
CID 14737833
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
(5S)-5-[(1R)-1-iodo-2-phenylmethoxyethyl]oxolan-2-one
CID 11382390
(Z)-7-[(1S,2S,3S,4R)-3-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-en-1-ol
CID 70454822
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(1R)-1-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]undecan-1-ol
CID 11545059
(2S,3aS,5R,6aR)-5-[(1S)-1-bromo-4-phenylmethoxybutyl]-2-[(1R)-1-bromopropyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 71484247
undec-4-enoxymethylbenzene
CID 158781580
(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
CID 44541660

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one (CID 11153460) is (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one is O=C1CC[C@@H]([C@@H]2CC[C@H]([C@@H](O)CC/C=C/CCCOCc3ccccc3)O2)O1.
What is the InChIKey of (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one?
The InChIKey is BDIOUTVMNFEQJR-NBSITQGLSA-N. The full InChI is InChI=1S/C23H32O5/c24-19(20-12-13-21(27-20)22-14-15-23(25)28-22)11-7-2-1-3-8-16-26-17-18-9-5-4-6-10-18/h1-2,4-6,9-10,19-22,24H,3,7-8,11-17H2/b2-1+/t19-,20+,21-,22-/m0/s1.
What are the key properties of (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one?
(5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one has a molecular weight of 388.50 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S,5R)-5-[(E,1S)-1-hydroxy-8-phenylmethoxyoct-4-enyl]oxolan-2-yl]oxolan-2-one is sourced from PubChem (CID 11153460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).