(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one

C15H28O4Si — CID 10990246

IUPAC(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CC[C@@H](CO)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9,11,13,16H,7-8,10H2,1-6H3/t11-,13-/m0/s1
InChIKeyZTEZTQRYZLCJOH-AAEUAGOBSA-N
MW300.47 g/mol
LogP3.02
Rot. Bonds6

About (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one

(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one (PubChem CID 10990246) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
PubChem CID10990246
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CC[C@@H](CO)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9,11,13,16H,7-8,10H2,1-6H3/t11-,13-/m0/s1
InChIKeyZTEZTQRYZLCJOH-AAEUAGOBSA-N
XLogP3.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one (CID 10990246) is (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(CC[C@@H](CO)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one?
The InChIKey is ZTEZTQRYZLCJOH-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-11-9-12(14(17)18-11)7-8-13(10-16)19-20(5,6)15(2,3)4/h9,11,13,16H,7-8,10H2,1-6H3/t11-,13-/m0/s1.
What are the key properties of (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one?
(2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one has a molecular weight of 300.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 10990246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).