(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one

C20H36O4Si — CID 24808908

IUPAC(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(C[C@@H](CCCCC[C@@H]2CO2)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C20H36O4Si/c1-15-12-16(19(21)23-15)13-17(24-25(5,6)20(2,3)4)10-8-7-9-11-18-14-22-18/h12,15,17-18H,7-11,13-14H2,1-6H3/t15-,17+,18+/m0/s1
InChIKeyOEWDOGPFDMWWAL-CGTJXYLNSA-N
MW368.59 g/mol
LogP4.99
Rot. Bonds10

About (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one

(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one (PubChem CID 24808908) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one
PubChem CID24808908
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(C[C@@H](CCCCC[C@@H]2CO2)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C20H36O4Si/c1-15-12-16(19(21)23-15)13-17(24-25(5,6)20(2,3)4)10-8-7-9-11-18-14-22-18/h12,15,17-18H,7-11,13-14H2,1-6H3/t15-,17+,18+/m0/s1
InChIKeyOEWDOGPFDMWWAL-CGTJXYLNSA-N
XLogP4.99
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.99
H-Bond Donors ≤ 50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one (CID 24808908) is (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(C[C@@H](CCCCC[C@@H]2CO2)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one?
The InChIKey is OEWDOGPFDMWWAL-CGTJXYLNSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-15-12-16(19(21)23-15)13-17(24-25(5,6)20(2,3)4)10-8-7-9-11-18-14-22-18/h12,15,17-18H,7-11,13-14H2,1-6H3/t15-,17+,18+/m0/s1.
What are the key properties of (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one has a molecular weight of 368.59 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-7-[(2R)-oxiran-2-yl]heptyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 24808908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).