(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one

C20H34O4Si — CID 11326063

IUPAC(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one
SMILESC#C[C@H](O)CCCCC[C@H](CC1=C[C@H](C)OC1=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H34O4Si/c1-6-18(21)10-8-7-9-11-19(23-12-13-25(3,4)5)15-17-14-16(2)24-20(17)22/h1,14,16,18-19,21H,7-13,15H2,2-5H3/t16-,18-,19+/m0/s1
InChIKeyJBLCOBVMLUYURQ-YTQUADARSA-N
MW366.57 g/mol
LogP3.92
Rot. Bonds12

About (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one

(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one (PubChem CID 11326063) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one
PubChem CID11326063
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one
SMILESC#C[C@H](O)CCCCC[C@H](CC1=C[C@H](C)OC1=O)OCC[Si](C)(C)C
InChIInChI=1S/C20H34O4Si/c1-6-18(21)10-8-7-9-11-19(23-12-13-25(3,4)5)15-17-14-16(2)24-20(17)22/h1,14,16,18-19,21H,7-13,15H2,2-5H3/t16-,18-,19+/m0/s1
InChIKeyJBLCOBVMLUYURQ-YTQUADARSA-N
XLogP3.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one (CID 11326063) is (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one is C#C[C@H](O)CCCCC[C@H](CC1=C[C@H](C)OC1=O)OCC[Si](C)(C)C.
What is the InChIKey of (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one?
The InChIKey is JBLCOBVMLUYURQ-YTQUADARSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-6-18(21)10-8-7-9-11-19(23-12-13-25(3,4)5)15-17-14-16(2)24-20(17)22/h1,14,16,18-19,21H,7-13,15H2,2-5H3/t16-,18-,19+/m0/s1.
What are the key properties of (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one has a molecular weight of 366.57 g/mol, XLogP of 3.92, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R,8R)-8-hydroxy-2-(2-trimethylsilylethoxy)dec-9-ynyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11326063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).