(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one

C20H34O5 — CID 132967420

IUPAC(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one
SMILESC/C=C/CCC(=O)C[C@@H](O)CCO[C@]1(CC/C=C/C)C[C@@H](O)CCO1
InChIInChI=1S/C20H34O5/c1-3-5-7-9-17(21)15-18(22)10-13-24-20(12-8-6-4-2)16-19(23)11-14-25-20/h3-6,18-19,22-23H,7-16H2,1-2H3/b5-3+,6-4+/t18-,19-,20-/m0/s1
InChIKeySRMFPPPFRLKNNH-UQJYPGNUSA-N
MW354.49 g/mol
LogP3.29
Rot. Bonds12

About (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one

(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one (PubChem CID 132967420) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one.

Molecular Properties

Compound Name(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one
PubChem CID132967420
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one
SMILESC/C=C/CCC(=O)C[C@@H](O)CCO[C@]1(CC/C=C/C)C[C@@H](O)CCO1
InChIInChI=1S/C20H34O5/c1-3-5-7-9-17(21)15-18(22)10-13-24-20(12-8-6-4-2)16-19(23)11-14-25-20/h3-6,18-19,22-23H,7-16H2,1-2H3/b5-3+,6-4+/t18-,19-,20-/m0/s1
InChIKeySRMFPPPFRLKNNH-UQJYPGNUSA-N
XLogP3.29
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one?
The IUPAC name of (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one (CID 132967420) is (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one.
What is the SMILES notation for (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one?
The canonical SMILES for (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one is C/C=C/CCC(=O)C[C@@H](O)CCO[C@]1(CC/C=C/C)C[C@@H](O)CCO1.
What is the InChIKey of (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one?
The InChIKey is SRMFPPPFRLKNNH-UQJYPGNUSA-N. The full InChI is InChI=1S/C20H34O5/c1-3-5-7-9-17(21)15-18(22)10-13-24-20(12-8-6-4-2)16-19(23)11-14-25-20/h3-6,18-19,22-23H,7-16H2,1-2H3/b5-3+,6-4+/t18-,19-,20-/m0/s1.
What are the key properties of (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one?
(E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one has a molecular weight of 354.49 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-hydroxy-1-[(2R,4S)-4-hydroxy-2-[(E)-pent-3-enyl]oxan-2-yl]oxydec-8-en-5-one is sourced from PubChem (CID 132967420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).