[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane

C14H29NO3Si — CID 90157719

IUPAC[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)9-10-12-11(8-15(10)16)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyPZXJLTQDWCIWHR-GRYCIOLGSA-N
MW287.48 g/mol
LogP1.78
Rot. Bonds2

About [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane

[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane (PubChem CID 90157719) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane
PubChem CID90157719
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2C[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)9-10-12-11(8-15(10)16)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyPZXJLTQDWCIWHR-GRYCIOLGSA-N
XLogP1.78
TPSA45.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane (CID 90157719) is [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2C[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane?
The InChIKey is PZXJLTQDWCIWHR-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)9-10-12-11(8-15(10)16)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1.
What are the key properties of [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane?
[(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane has a molecular weight of 287.48 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methyl-tert-butyl-dimethylsilane is sourced from PubChem (CID 90157719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).