(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one

C21H38O3Si — CID 10832751

IUPAC(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one
SMILESC=CCCCCCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-8-9-10-11-12-13-14-19(24-25(6,7)21(3,4)5)16-18-15-17(2)23-20(18)22/h8,15,17,19H,1,9-14,16H2,2-7H3/t17-,19+/m0/s1
InChIKeyRFFQNKWIGYTHPP-PKOBYXMFSA-N
MW366.62 g/mol
LogP6.17
Rot. Bonds11

About (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one

(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one (PubChem CID 10832751) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one
PubChem CID10832751
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one
SMILESC=CCCCCCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O3Si/c1-8-9-10-11-12-13-14-19(24-25(6,7)21(3,4)5)16-18-15-17(2)23-20(18)22/h8,15,17,19H,1,9-14,16H2,2-7H3/t17-,19+/m0/s1
InChIKeyRFFQNKWIGYTHPP-PKOBYXMFSA-N
XLogP6.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one (CID 10832751) is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one is C=CCCCCCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one?
The InChIKey is RFFQNKWIGYTHPP-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-8-9-10-11-12-13-14-19(24-25(6,7)21(3,4)5)16-18-15-17(2)23-20(18)22/h8,15,17,19H,1,9-14,16H2,2-7H3/t17-,19+/m0/s1.
What are the key properties of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one has a molecular weight of 366.62 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxydec-9-enyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10832751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).