tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate

C23H42O8Si — CID 102354992

IUPACtert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)C(C)(C)[C@@H](OC)[C@@H]1OCOC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O8Si/c1-13-15(29-20(25)30-21(2,3)4)23(8,9)18(26-10)16-17(19(24)28-14-27-16)31-32(11,12)22(5,6)7/h13,15-18H,1,14H2,2-12H3/t15-,16+,17-,18-/m0/s1
InChIKeyNZUBPMNUPYOYCZ-MHORFTMASA-N
MW474.67 g/mol
LogP4.82
Rot. Bonds8

About tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate

tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate (PubChem CID 102354992) has the molecular formula C23H42O8Si and a molecular weight of 474.67 g/mol. Its IUPAC name is tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate
PubChem CID102354992
Molecular FormulaC23H42O8Si
Molecular Weight474.67 g/mol
Exact Mass474.26
IUPAC Nametert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate
SMILESC=C[C@H](OC(=O)OC(C)(C)C)C(C)(C)[C@@H](OC)[C@@H]1OCOC(=O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O8Si/c1-13-15(29-20(25)30-21(2,3)4)23(8,9)18(26-10)16-17(19(24)28-14-27-16)31-32(11,12)22(5,6)7/h13,15-18H,1,14H2,2-12H3/t15-,16+,17-,18-/m0/s1
InChIKeyNZUBPMNUPYOYCZ-MHORFTMASA-N
XLogP4.82
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate?
The IUPAC name of tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate (CID 102354992) is tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate?
The canonical SMILES for tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate is C=C[C@H](OC(=O)OC(C)(C)C)C(C)(C)[C@@H](OC)[C@@H]1OCOC(=O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate?
The InChIKey is NZUBPMNUPYOYCZ-MHORFTMASA-N. The full InChI is InChI=1S/C23H42O8Si/c1-13-15(29-20(25)30-21(2,3)4)23(8,9)18(26-10)16-17(19(24)28-14-27-16)31-32(11,12)22(5,6)7/h13,15-18H,1,14H2,2-12H3/t15-,16+,17-,18-/m0/s1.
What are the key properties of tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate?
tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate has a molecular weight of 474.67 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(3S,5R)-5-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-oxo-1,3-dioxan-4-yl]-5-methoxy-4,4-dimethylpent-1-en-3-yl] carbonate is sourced from PubChem (CID 102354992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).