(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol

C19H36O3 — CID 11120550

IUPAC(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
SMILESC=CCCCCCCC[C@@H](O)[C@H]1C[C@H](O)[C@H](CCCCC)O1
InChIInChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1
InChIKeyZPHRIOPZYRKRRG-YDZRNGNQSA-N
MW312.49 g/mol
LogP4.36
Rot. Bonds13

About (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol

(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol (PubChem CID 11120550) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
PubChem CID11120550
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
SMILESC=CCCCCCCC[C@@H](O)[C@H]1C[C@H](O)[C@H](CCCCC)O1
InChIInChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1
InChIKeyZPHRIOPZYRKRRG-YDZRNGNQSA-N
XLogP4.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol
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(2s,3s,5s)-5-[(1s)-1-Hydroxydec-9-en-1-yl]-2-pentyltetrahydrofuran-3-ol
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(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
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(2R,3R,4R,5S)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
CID 44442296
(3R,4R,5S)-5-((R)-2-hydroxy-1-(undec-10-enyloxy)ethyl)-tetrahydrofuran-2,3,4-triol
CID 44442298

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol?
The IUPAC name of (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol (CID 11120550) is (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol.
What is the SMILES notation for (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol?
The canonical SMILES for (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol is C=CCCCCCCC[C@@H](O)[C@H]1C[C@H](O)[C@H](CCCCC)O1.
What is the InChIKey of (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol?
The InChIKey is ZPHRIOPZYRKRRG-YDZRNGNQSA-N. The full InChI is InChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3/t16-,17+,18+,19-/m1/s1.
What are the key properties of (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol?
(2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol has a molecular weight of 312.49 g/mol, XLogP of 4.36, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-[(1R)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol is sourced from PubChem (CID 11120550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).