(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one

C20H36O3Si — CID 24808910

IUPAC(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
SMILESC=CCCCCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-8-9-10-11-12-13-18(23-24(6,7)20(3,4)5)15-17-14-16(2)22-19(17)21/h8,14,16,18H,1,9-13,15H2,2-7H3/t16-,18+/m0/s1
InChIKeyPEONGSREUPUAEZ-FUHWJXTLSA-N
MW352.59 g/mol
LogP5.78
Rot. Bonds10

About (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one

(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one (PubChem CID 24808910) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
PubChem CID24808910
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one
SMILESC=CCCCCC[C@H](CC1=C[C@H](C)OC1=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O3Si/c1-8-9-10-11-12-13-18(23-24(6,7)20(3,4)5)15-17-14-16(2)22-19(17)21/h8,14,16,18H,1,9-13,15H2,2-7H3/t16-,18+/m0/s1
InChIKeyPEONGSREUPUAEZ-FUHWJXTLSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.59
LogP ≤ 55.78
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]oxynon-8-enyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one (CID 24808910) is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one is C=CCCCCC[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]oxynon-8-enyl]-2-methyl-2H-furan-5-one?
The InChIKey is PEONGSREUPUAEZ-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-8-9-10-11-12-13-18(23-24(6,7)20(3,4)5)15-17-14-16(2)22-19(17)21/h8,14,16,18H,1,9-13,15H2,2-7H3/t16-,18+/m0/s1.
What are the key properties of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynon-8-enyl]-2-methyl-2H-furan-5-one has a molecular weight of 352.59 g/mol, XLogP of 5.78, 10 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]oxynon-8-enyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 24808910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).