[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate

C15H26O7Si — CID 10882533

IUPAC[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate
SMILESCC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)OC(=O)[C@@H](OC=O)[C@@H]2O1
InChIInChI=1S/C15H26O7Si/c1-14(2,3)23(6,7)22-13-11-9(20-15(4,5)21-11)10(18-8-16)12(17)19-13/h8-11,13H,1-7H3/t9-,10-,11-,13+/m0/s1
InChIKeyIVWWJKKXMAHJJF-MRBYEJRBSA-N
MW346.45 g/mol
LogP1.95
Rot. Bonds4

About [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate

[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate (PubChem CID 10882533) has the molecular formula C15H26O7Si and a molecular weight of 346.45 g/mol. Its IUPAC name is [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate.

Molecular Properties

Compound Name[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate
PubChem CID10882533
Molecular FormulaC15H26O7Si
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate
SMILESCC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)OC(=O)[C@@H](OC=O)[C@@H]2O1
InChIInChI=1S/C15H26O7Si/c1-14(2,3)23(6,7)22-13-11-9(20-15(4,5)21-11)10(18-8-16)12(17)19-13/h8-11,13H,1-7H3/t9-,10-,11-,13+/m0/s1
InChIKeyIVWWJKKXMAHJJF-MRBYEJRBSA-N
XLogP1.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate?
The IUPAC name of [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate (CID 10882533) is [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate.
What is the SMILES notation for [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate?
The canonical SMILES for [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate is CC1(C)O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)OC(=O)[C@@H](OC=O)[C@@H]2O1.
What is the InChIKey of [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate?
The InChIKey is IVWWJKKXMAHJJF-MRBYEJRBSA-N. The full InChI is InChI=1S/C15H26O7Si/c1-14(2,3)23(6,7)22-13-11-9(20-15(4,5)21-11)10(18-8-16)12(17)19-13/h8-11,13H,1-7H3/t9-,10-,11-,13+/m0/s1.
What are the key properties of [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate?
[(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate has a molecular weight of 346.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,7S,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] formate is sourced from PubChem (CID 10882533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).