methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate

C16H26O6Si — CID 139257725

IUPACmethyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESC=CC(C[C@H]1OC(=O)C(O)=C1C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O6Si/c1-8-10(22-23(6,7)16(2,3)4)9-11-12(14(18)20-5)13(17)15(19)21-11/h8,10-11,17H,1,9H2,2-7H3/t10?,11-/m1/s1
InChIKeyQCFOVSLXLPQPGF-RRKGBCIJSA-N
MW342.46 g/mol
LogP2.86
Rot. Bonds6

About methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate

methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate (PubChem CID 139257725) has the molecular formula C16H26O6Si and a molecular weight of 342.46 g/mol. Its IUPAC name is methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate
PubChem CID139257725
Molecular FormulaC16H26O6Si
Molecular Weight342.46 g/mol
Exact Mass342.15
IUPAC Namemethyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate
SMILESC=CC(C[C@H]1OC(=O)C(O)=C1C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26O6Si/c1-8-10(22-23(6,7)16(2,3)4)9-11-12(14(18)20-5)13(17)15(19)21-11/h8,10-11,17H,1,9H2,2-7H3/t10?,11-/m1/s1
InChIKeyQCFOVSLXLPQPGF-RRKGBCIJSA-N
XLogP2.86
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
CID 10065434
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
(2E)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
CID 101352532

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate (CID 139257725) is methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate is C=CC(C[C@H]1OC(=O)C(O)=C1C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
The InChIKey is QCFOVSLXLPQPGF-RRKGBCIJSA-N. The full InChI is InChI=1S/C16H26O6Si/c1-8-10(22-23(6,7)16(2,3)4)9-11-12(14(18)20-5)13(17)15(19)21-11/h8,10-11,17H,1,9H2,2-7H3/t10?,11-/m1/s1.
What are the key properties of methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate?
methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate has a molecular weight of 342.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 139257725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).