2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate

C26H46O8Si — CID 138969565

IUPAC2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCOC(=O)/C=C1\C[C@@H](CCOC(=O)C(C)(C)C)O[C@@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C26H46O8Si/c1-23(2,3)22(29)32-14-13-19-15-18(16-20(27)30-9)21(28)26(31-10,34-19)25(7,8)17-33-35(11,12)24(4,5)6/h16,19H,13-15,17H2,1-12H3/b18-16+/t19-,26-/m1/s1
InChIKeyFDITYYKJDCORSW-PIEXLZIOSA-N
MW514.73 g/mol
LogP4.81
Rot. Bonds9

About 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate

2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 138969565) has the molecular formula C26H46O8Si and a molecular weight of 514.73 g/mol. Its IUPAC name is 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate
PubChem CID138969565
Molecular FormulaC26H46O8Si
Molecular Weight514.73 g/mol
Exact Mass514.30
IUPAC Name2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate
SMILESCOC(=O)/C=C1\C[C@@H](CCOC(=O)C(C)(C)C)O[C@@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C26H46O8Si/c1-23(2,3)22(29)32-14-13-19-15-18(16-20(27)30-9)21(28)26(31-10,34-19)25(7,8)17-33-35(11,12)24(4,5)6/h16,19H,13-15,17H2,1-12H3/b18-16+/t19-,26-/m1/s1
InChIKeyFDITYYKJDCORSW-PIEXLZIOSA-N
XLogP4.81
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.73
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate (CID 138969565) is 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate is COC(=O)/C=C1\C[C@@H](CCOC(=O)C(C)(C)C)O[C@@](OC)(C(C)(C)CO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is FDITYYKJDCORSW-PIEXLZIOSA-N. The full InChI is InChI=1S/C26H46O8Si/c1-23(2,3)22(29)32-14-13-19-15-18(16-20(27)30-9)21(28)26(31-10,34-19)25(7,8)17-33-35(11,12)24(4,5)6/h16,19H,13-15,17H2,1-12H3/b18-16+/t19-,26-/m1/s1.
What are the key properties of 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate?
2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 514.73 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4E,6S)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-6-methoxy-4-(2-methoxy-2-oxoethylidene)-5-oxooxan-2-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 138969565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).