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

C15H28O3Si — CID 11822185

IUPAC(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyKVCGBNXJDWBRSS-LBPRGKRZSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds6

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

(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one (PubChem CID 11822185) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one
PubChem CID11822185
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one
SMILESC[C@H]1C=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3/t12-/m0/s1
InChIKeyKVCGBNXJDWBRSS-LBPRGKRZSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one (CID 11822185) is (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one is C[C@H]1C=C(CCCCO[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one?
The InChIKey is KVCGBNXJDWBRSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12-11-13(14(16)18-12)9-7-8-10-17-19(5,6)15(2,3)4/h11-12H,7-10H2,1-6H3/t12-/m0/s1.
What are the key properties of (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one?
(2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one has a molecular weight of 284.47 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11822185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).